From f9eac6876ed4a83deeec046f3ad2360602f6ad14 Mon Sep 17 00:00:00 2001 From: peastman Date: Thu, 7 Jul 2022 11:15:46 -0700 Subject: [PATCH 01/23] Build 8.0 beta --- recipe/conda_build_config.yaml | 4 +++- recipe/meta.yaml | 8 +++----- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/recipe/conda_build_config.yaml b/recipe/conda_build_config.yaml index fe5dd659..e49b538d 100644 --- a/recipe/conda_build_config.yaml +++ b/recipe/conda_build_config.yaml @@ -2,4 +2,6 @@ opencl_impl: # [osx] - apple # [osx] - khronos # [osx] channel_targets: -- conda-forge main +- conda-forge openmm_rc +MACOSX_SDK_VERSION: # [osx and x86_64] + - "10.12" # [osx and x86_64] \ No newline at end of file diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 819fe5ff..c38d077e 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} -{% set version = "7.7.0" %} -{% set build = 1 %} +{% set version = "8.0.0beta" %} +{% set build = 0 %} {% set with_test_suite = "false" %} {% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "7.7.0" + git_rev: "1dac981" build: number: {{ build }} @@ -53,7 +53,6 @@ requirements: host: - python - - fftw - swig - pthread-stubs - lxml @@ -65,7 +64,6 @@ requirements: run: - python - - fftw - numpy # OpenCL ICD - ocl-icd # [linux] From e509f6f0590cfbcefe29fa81146d2c05a89b6e5d Mon Sep 17 00:00:00 2001 From: "conda-forge-webservices[bot]" <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Date: Thu, 7 Jul 2022 18:22:52 +0000 Subject: [PATCH 02/23] MNT: Re-rendered with conda-build 3.21.9, conda-smithy 3.21.0, and conda-forge-pinning 2022.07.06.01.52.02 --- .azure-pipelines/azure-pipelines-linux.yml | 90 ++--- .azure-pipelines/azure-pipelines-osx.yml | 32 +- .azure-pipelines/azure-pipelines-win.yml | 117 +++---- ...rsion10numpy1.19python3.7.____73_pypy.yaml | 6 +- ...sion10numpy1.19python3.7.____cpython.yaml} | 8 +- ...sion10numpy1.19python3.8.____cpython.yaml} | 8 +- ...rsion10numpy1.19python3.9.____cpython.yaml | 6 +- ...sion10numpy1.21python3.10.____cpython.yaml | 6 +- ...rsion10numpy1.19python3.7.____73_pypy.yaml | 6 +- ...sion10numpy1.19python3.7.____cpython.yaml} | 8 +- ...sion10numpy1.19python3.8.____cpython.yaml} | 8 +- ...rsion10numpy1.19python3.9.____cpython.yaml | 6 +- ...sion10numpy1.21python3.10.____cpython.yaml | 6 +- ...ersion7numpy1.19python3.7.____73_pypy.yaml | 6 +- ...rsion7numpy1.19python3.7.____cpython.yaml} | 8 +- ...rsion7numpy1.19python3.8.____cpython.yaml} | 8 +- ...ersion7numpy1.19python3.9.____cpython.yaml | 6 +- ...rsion7numpy1.21python3.10.____cpython.yaml | 6 +- ...ersion9numpy1.19python3.7.____73_pypy.yaml | 6 +- ...rsion9numpy1.19python3.7.____cpython.yaml} | 8 +- ...rsion9numpy1.19python3.8.____cpython.yaml} | 8 +- ...ersion9numpy1.19python3.9.____cpython.yaml | 6 +- ...rsion9numpy1.21python3.10.____cpython.yaml | 6 +- ...arch64_numpy1.19python3.7.____73_pypy.yaml | 6 +- ...rch64_numpy1.19python3.7.____cpython.yaml} | 8 +- ...rch64_numpy1.19python3.8.____cpython.yaml} | 8 +- ...arch64_numpy1.19python3.9.____cpython.yaml | 6 +- ...rch64_numpy1.21python3.10.____cpython.yaml | 6 +- ...opencl_implapplepython3.7.____73_pypy.yaml | 12 +- ...pencl_implapplepython3.7.____cpython.yaml} | 14 +- ...pencl_implapplepython3.8.____cpython.yaml} | 14 +- ...opencl_implapplepython3.9.____cpython.yaml | 12 +- ...encl_implkhronospython3.7.____73_pypy.yaml | 12 +- ...ncl_implkhronospython3.7.____cpython.yaml} | 14 +- ...ncl_implkhronospython3.8.____cpython.yaml} | 14 +- ...encl_implkhronospython3.9.____cpython.yaml | 12 +- ...pencl_implapplepython3.10.____cpython.yaml | 12 +- ...ncl_implkhronospython3.10.____cpython.yaml | 12 +- ...opencl_implapplepython3.8.____cpython.yaml | 10 +- ...opencl_implapplepython3.9.____cpython.yaml | 10 +- ...encl_implkhronospython3.8.____cpython.yaml | 10 +- ...encl_implkhronospython3.9.____cpython.yaml | 10 +- ...pencl_implapplepython3.10.____cpython.yaml | 10 +- ...ncl_implkhronospython3.10.____cpython.yaml | 10 +- ...on10.2numpy1.19python3.7.____cpython.yaml} | 8 +- ...on10.2numpy1.19python3.8.____cpython.yaml} | 8 +- ...ion10.2numpy1.19python3.9.____cpython.yaml | 6 +- ...on11.0numpy1.19python3.7.____cpython.yaml} | 8 +- ...on11.0numpy1.19python3.8.____cpython.yaml} | 8 +- ...ion11.0numpy1.19python3.9.____cpython.yaml | 6 +- ...on11.1numpy1.19python3.7.____cpython.yaml} | 8 +- ...on11.1numpy1.19python3.8.____cpython.yaml} | 8 +- ...ion11.1numpy1.19python3.9.____cpython.yaml | 6 +- ...on11.2numpy1.19python3.7.____cpython.yaml} | 8 +- ...on11.2numpy1.19python3.8.____cpython.yaml} | 8 +- ...ion11.2numpy1.19python3.9.____cpython.yaml | 6 +- .circleci/config.yml | 3 +- .github/CODEOWNERS | 2 +- .scripts/build_steps.sh | 9 +- .scripts/run_osx_build.sh | 4 + LICENSE.txt | 30 +- README.md | 318 ++++++++++-------- build-locally.py | 19 +- 63 files changed, 456 insertions(+), 614 deletions(-) rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.7.____cpython.yaml => linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml} (89%) rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.8.____cpython.yaml => linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml} (89%) rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.7.____cpython.yaml => linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml} (89%) rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.8.____cpython.yaml => linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml} (89%) rename .ci_support/{linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython.yaml => linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml} (89%) rename .ci_support/{linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython.yaml => linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml} (89%) rename .ci_support/{linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython.yaml => linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml} (89%) rename .ci_support/{linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython.yaml => linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml} (89%) rename .ci_support/{linux_aarch64_numpy1.18python3.7.____cpython.yaml => linux_aarch64_numpy1.19python3.7.____cpython.yaml} (90%) rename .ci_support/{linux_aarch64_numpy1.18python3.8.____cpython.yaml => linux_aarch64_numpy1.19python3.8.____cpython.yaml} (90%) rename .ci_support/{osx_64_numpy1.18opencl_implapplepython3.7.____cpython.yaml => osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml} (85%) rename .ci_support/{osx_64_numpy1.18opencl_implapplepython3.8.____cpython.yaml => osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml} (85%) rename .ci_support/{osx_64_numpy1.18opencl_implkhronospython3.7.____cpython.yaml => osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml} (85%) rename .ci_support/{osx_64_numpy1.18opencl_implkhronospython3.8.____cpython.yaml => osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml} (85%) rename .ci_support/{win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython.yaml => win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml} (82%) rename .ci_support/{win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython.yaml => win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml} (82%) rename .ci_support/{win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython.yaml => win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml} (82%) rename .ci_support/{win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython.yaml => win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml} (82%) rename .ci_support/{win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython.yaml => win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml} (82%) rename .ci_support/{win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython.yaml => win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml} (82%) rename .ci_support/{win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython.yaml => win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml} (82%) rename .ci_support/{win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython.yaml => win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml} (82%) diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index fb728c45..1f1a9e0d 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -8,21 +8,21 @@ jobs: vmImage: ubuntu-latest strategy: matrix: - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.7.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.7.____cpython + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h26c14b5895 - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.8.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.8.____cpython + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hba4c860a1a + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hf2c0af9b99 - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_he878b87cd0 + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hba4c860a1a + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h9c93f6eb74 linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython: CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' @@ -33,21 +33,21 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h2751d9faff - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.7.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.7.____cpython + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h4c95efad54 - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.8.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.8.____cpython + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc24dab8746 + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h13298445de - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h9e2f447dc5 + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc24dab8746 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h1d358c3c27 linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython: CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' @@ -58,21 +58,21 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h0dbcfba145 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h57c7de21e1 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h7423c086a8 + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h8349c27b91 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h82793cd7ea + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h7423c086a8 + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h8c60c41cc3 linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython: CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' @@ -83,21 +83,21 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h172a199072 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h970f009565 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hcba064f835 + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h0ce387f731 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h2af77520fd + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hcba064f835 + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h41ee2a991b linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython: CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' @@ -108,21 +108,21 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h97cf3b29ee - linux_aarch64_numpy1.18python3.7.____cpython: - CONFIG: linux_aarch64_numpy1.18python3.7.____cpython + linux_aarch64_numpy1.19python3.7.____73_pypy: + CONFIG: linux_aarch64_numpy1.19python3.7.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.18python3.7.____cpython - linux_aarch64_numpy1.18python3.8.____cpython: - CONFIG: linux_aarch64_numpy1.18python3.8.____cpython + SHORT_CONFIG: linux_aarch64_numpy1.19python3.7.____73_pypy + linux_aarch64_numpy1.19python3.7.____cpython: + CONFIG: linux_aarch64_numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.18python3.8.____cpython - linux_aarch64_numpy1.19python3.7.____73_pypy: - CONFIG: linux_aarch64_numpy1.19python3.7.____73_pypy + SHORT_CONFIG: linux_aarch64_numpy1.19python3.7.____cpython + linux_aarch64_numpy1.19python3.8.____cpython: + CONFIG: linux_aarch64_numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.19python3.7.____73_pypy + SHORT_CONFIG: linux_aarch64_numpy1.19python3.8.____cpython linux_aarch64_numpy1.19python3.9.____cpython: CONFIG: linux_aarch64_numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index dbdf2f3c..4dea0363 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -8,26 +8,18 @@ jobs: vmImage: macOS-10.15 strategy: matrix: - osx_64_numpy1.18opencl_implapplepython3.7.____cpython: - CONFIG: osx_64_numpy1.18opencl_implapplepython3.7.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.18opencl_implapplepyt_h827c50c310 - osx_64_numpy1.18opencl_implapplepython3.8.____cpython: - CONFIG: osx_64_numpy1.18opencl_implapplepython3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.18opencl_implapplepyt_hda91864ca4 - osx_64_numpy1.18opencl_implkhronospython3.7.____cpython: - CONFIG: osx_64_numpy1.18opencl_implkhronospython3.7.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.18opencl_implkhronosp_h3ef5131a6f - osx_64_numpy1.18opencl_implkhronospython3.8.____cpython: - CONFIG: osx_64_numpy1.18opencl_implkhronospython3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.18opencl_implkhronosp_h4d0fbe84e1 osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy: CONFIG: osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h7ce1dd6275 + osx_64_numpy1.19opencl_implapplepython3.7.____cpython: + CONFIG: osx_64_numpy1.19opencl_implapplepython3.7.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h0afc153fc8 + osx_64_numpy1.19opencl_implapplepython3.8.____cpython: + CONFIG: osx_64_numpy1.19opencl_implapplepython3.8.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h044988d856 osx_64_numpy1.19opencl_implapplepython3.9.____cpython: CONFIG: osx_64_numpy1.19opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' @@ -36,6 +28,14 @@ jobs: CONFIG: osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_h8f345da7e0 + osx_64_numpy1.19opencl_implkhronospython3.7.____cpython: + CONFIG: osx_64_numpy1.19opencl_implkhronospython3.7.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_he0ae06a9e4 + osx_64_numpy1.19opencl_implkhronospython3.8.____cpython: + CONFIG: osx_64_numpy1.19opencl_implkhronospython3.8.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_h1c9ea6b919 osx_64_numpy1.19opencl_implkhronospython3.9.____cpython: CONFIG: osx_64_numpy1.19opencl_implkhronospython3.9.____cpython UPLOAD_PACKAGES: 'True' diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index 862a6f2a..f80f7943 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -8,50 +8,50 @@ jobs: vmImage: windows-2019 strategy: matrix: - win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython + win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_he2b926deb3 - win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hf580deaa48 + win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hf921f21a33 + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hffe94ff147 win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython: CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hfd851b7be2 - win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython + win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_hf8be621d26 - win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h7988b3b7d1 + win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h98fac7104a + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h0b869159d7 win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython: CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h70fffaf8a7 - win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython + win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h9be781f57b - win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h360ae9e970 + win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h62882df1dc + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_ha556998785 win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython: CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hceadb1a9ac - win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython + win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hea75ba6b7e - win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h377648b46a + win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hcdbe8cdfc4 + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hc277f77dfb win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython: CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython UPLOAD_PACKAGES: 'True' @@ -62,45 +62,27 @@ jobs: CONDA_BLD_PATH: D:\\bld\\ steps: - - script: | - choco install vcpython27 -fdv -y --debug - condition: contains(variables['CONFIG'], 'vs2008') - displayName: Install vcpython27.msi (if needed) - - # Cygwin's git breaks conda-build. (See https://github.com/conda-forge/conda-smithy-feedstock/pull/2.) - # - script: rmdir C:\cygwin /s /q - # continueOnError: true - - - powershell: | - Set-PSDebug -Trace 1 - - $batchcontent = @" - ECHO ON - SET vcpython=C:\Program Files (x86)\Common Files\Microsoft\Visual C++ for Python\9.0 - - DIR "%vcpython%" - - CALL "%vcpython%\vcvarsall.bat" %* - "@ - - $batchDir = "C:\Program Files (x86)\Common Files\Microsoft\Visual C++ for Python\9.0\VC" - $batchPath = "$batchDir" + "\vcvarsall.bat" - New-Item -Path $batchPath -ItemType "file" -Force - - Set-Content -Value $batchcontent -Path $batchPath + - task: PythonScript@0 + displayName: 'Download Miniforge' + inputs: + scriptSource: inline + script: | + import urllib.request + url = 'https://github.com/conda-forge/miniforge/releases/latest/download/Mambaforge-Windows-x86_64.exe' + path = r"$(Build.ArtifactStagingDirectory)/Miniforge.exe" + urllib.request.urlretrieve(url, path) - Get-ChildItem -Path $batchDir + - script: | + start /wait "" %BUILD_ARTIFACTSTAGINGDIRECTORY%\Miniforge.exe /InstallationType=JustMe /RegisterPython=0 /S /D=C:\Miniforge + displayName: Install Miniforge - Get-ChildItem -Path ($batchDir + '\..') + - powershell: Write-Host "##vso[task.prependpath]C:\Miniforge\Scripts" + displayName: Add conda to PATH - condition: contains(variables['CONFIG'], 'vs2008') - displayName: Patch vs2008 (if needed) - - task: CondaEnvironment@1 - inputs: - packageSpecs: 'python=3.9 conda-build conda pip boa conda-forge-ci-setup=3' # Optional - installOptions: "-c conda-forge" - updateConda: true - displayName: Install conda-build and activate environment + - script: | + call activate base + mamba.exe install 'python=3.9' conda-build conda pip boa 'conda-forge-ci-setup=3' -c conda-forge --strict-channel-priority --yes + displayName: Install conda-build - script: set PYTHONUNBUFFERED=1 displayName: Set PYTHONUNBUFFERED @@ -117,25 +99,16 @@ jobs: call activate base run_conda_forge_build_setup displayName: conda-forge build setup - - - # Special cased version setting some more things! - - script: | - call activate base - conda.exe build "recipe" -m .ci_support\%CONFIG%.yaml - displayName: Build recipe (vs2008) - env: - VS90COMNTOOLS: "C:\\Program Files (x86)\\Common Files\\Microsoft\\Visual C++ for Python\\9.0\\VC\\bin" - PYTHONUNBUFFERED: 1 - condition: contains(variables['CONFIG'], 'vs2008') - script: | call activate base + if EXIST LICENSE.txt ( + copy LICENSE.txt "recipe\\recipe-scripts-license.txt" + ) conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables displayName: Build recipe env: PYTHONUNBUFFERED: 1 - condition: not(contains(variables['CONFIG'], 'vs2008')) - script: | set CI=azure set CI_RUN_ID=$(build.BuildNumber).$(system.JobAttempt) diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml index d8303ce7..e5530944 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml similarity index 89% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml index efe540e9..6ef1e293 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml similarity index 89% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml index f933b379..19c0cd9f 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml index 8f968a8b..0690e69d 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml index 999e0e19..8fc3a74f 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 -fftw: -- '3' numpy: - '1.21' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml index db0bf214..eefb600f 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml similarity index 89% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml index f30e10e8..fd8d1bc6 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml similarity index 89% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml index 07c2c1cc..25f079cc 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml index 425c6e14..5b243593 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml index 17259cd2..839b09d4 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 -fftw: -- '3' numpy: - '1.21' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml index b7200058..33c4e385 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml similarity index 89% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml index c9091c1c..cca3aaf4 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml similarity index 89% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml index 1c2f877a..fa1e226c 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml index 53e4c6f4..768f2229 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml index 5d7411d6..a032344f 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '7' docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -fftw: -- '3' numpy: - '1.21' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml index 236efd68..4ab0fbe6 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml similarity index 89% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml index 3999000c..2a00f16a 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml similarity index 89% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml index 1d081245..72498db9 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml index c0f042ec..31a19ef9 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml index 12ec9d3c..95244d4d 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: @@ -18,13 +18,9 @@ cxx_compiler_version: - '9' docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 -fftw: -- '3' numpy: - '1.21' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml index 5d915abe..b7977c7d 100644 --- a/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: @@ -20,13 +20,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.18python3.7.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml similarity index 90% rename from .ci_support/linux_aarch64_numpy1.18python3.7.____cpython.yaml rename to .ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml index 8d43be60..775143f0 100644 --- a/.ci_support/linux_aarch64_numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: @@ -20,13 +20,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.18python3.8.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml similarity index 90% rename from .ci_support/linux_aarch64_numpy1.18python3.8.____cpython.yaml rename to .ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml index 80e150d5..edd657c0 100644 --- a/.ci_support/linux_aarch64_numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: @@ -20,13 +20,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml index d28e9f31..6fa6703f 100644 --- a/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: @@ -20,13 +20,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml index 99c1248a..121470de 100644 --- a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: @@ -20,13 +20,9 @@ cxx_compiler_version: - '10' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 -fftw: -- '3' numpy: - '1.21' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml index eeec8fbc..03dc8519 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml @@ -1,21 +1,21 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.18opencl_implapplepython3.7.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml similarity index 85% rename from .ci_support/osx_64_numpy1.18opencl_implapplepython3.7.____cpython.yaml rename to .ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml index 878c58e5..a7151094 100644 --- a/.ci_support/osx_64_numpy1.18opencl_implapplepython3.7.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml @@ -1,30 +1,28 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.18' +- '1.19' opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.18opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml similarity index 85% rename from .ci_support/osx_64_numpy1.18opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml index 40af0144..8382ea02 100644 --- a/.ci_support/osx_64_numpy1.18opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml @@ -1,30 +1,28 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.18' +- '1.19' opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml index 2b4b689a..21f6309a 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml @@ -1,21 +1,21 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml index a455ea83..fbd5500a 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml @@ -1,21 +1,21 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.18opencl_implkhronospython3.7.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml similarity index 85% rename from .ci_support/osx_64_numpy1.18opencl_implkhronospython3.7.____cpython.yaml rename to .ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml index e975d7a1..812ecd1d 100644 --- a/.ci_support/osx_64_numpy1.18opencl_implkhronospython3.7.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml @@ -1,30 +1,28 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.18' +- '1.19' opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.18opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml similarity index 85% rename from .ci_support/osx_64_numpy1.18opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml index b6bb9cc4..dd07037a 100644 --- a/.ci_support/osx_64_numpy1.18opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml @@ -1,30 +1,28 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.18' +- '1.19' opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml index 2b1bea80..ea050967 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml @@ -1,21 +1,21 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml index b51f13d2..4bf33b20 100644 --- a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml @@ -1,21 +1,21 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml index 52b456b2..fd47407e 100644 --- a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml @@ -1,21 +1,21 @@ MACOSX_DEPLOYMENT_TARGET: - '10.9' +MACOSX_SDK_VERSION: +- '10.12' c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - x86_64-apple-darwin13.4.0 numpy: @@ -23,8 +23,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml index fa009078..d79c0fdc 100644 --- a/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml @@ -3,19 +3,17 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml index 9b598c5b..7d88a7d5 100644 --- a/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml @@ -3,19 +3,17 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml index 387dd0a4..d8618194 100644 --- a/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml @@ -3,19 +3,17 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml index 727027e7..3a35c067 100644 --- a/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml @@ -3,19 +3,17 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml index a81658aa..3c6db7d8 100644 --- a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml @@ -3,19 +3,17 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - apple pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml index 1ee674e2..c01c7822 100644 --- a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml @@ -3,19 +3,17 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '12' +- '13' channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler_version: - None cxx_compiler: - clangxx cxx_compiler_version: -- '12' -fftw: -- '3' +- '13' macos_machine: - arm64-apple-darwin20.0.0 numpy: @@ -23,8 +21,6 @@ numpy: opencl_impl: - khronos pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml similarity index 82% rename from .ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml index 8c458cf3..9ee3c79e 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '10.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml similarity index 82% rename from .ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml index 9059b3c2..6866899b 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '10.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml index 49a9b32e..7f5cb650 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '10.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml similarity index 82% rename from .ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml index f4730b74..6baddf01 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.0' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml similarity index 82% rename from .ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml index c7e35d0b..f73d7259 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.0' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml index a7e75058..a2eac4e1 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.0' cxx_compiler: - vs2017 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml similarity index 82% rename from .ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml index c5e1ccf4..7eb0eb1c 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.1' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml similarity index 82% rename from .ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml index e292dfd6..ae3336f9 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.1' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml index 1b4c7332..131de21b 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.1' cxx_compiler: - vs2017 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml similarity index 82% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml index 95bd8694..64484d8b 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml similarity index 82% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml index 86264f32..53f78e68 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: -- '1.18' +- '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml index 0a033a21..7f246a7b 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml @@ -3,20 +3,16 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge main +- conda-forge openmm_rc cuda_compiler: - nvcc cuda_compiler_version: - '11.2' cxx_compiler: - vs2017 -fftw: -- '3' numpy: - '1.19' pin_run_as_build: - fftw: - max_pin: x python: min_pin: x.x max_pin: x.x diff --git a/.circleci/config.yml b/.circleci/config.yml index 6ad461b8..3e61aa24 100644 --- a/.circleci/config.yml +++ b/.circleci/config.yml @@ -7,7 +7,8 @@ version: 2 jobs: build: working_directory: ~/test - machine: true + machine: + image: ubuntu-2004:current steps: - run: # The Circle-CI build should not be active, but if this is not true for some reason, do a fast finish. diff --git a/.github/CODEOWNERS b/.github/CODEOWNERS index 000fea18..99ba51ba 100644 --- a/.github/CODEOWNERS +++ b/.github/CODEOWNERS @@ -1 +1 @@ -* @mikemhenry @jaimergp @jchodera @peastman \ No newline at end of file +* @jaimergp @jchodera @mikemhenry @peastman \ No newline at end of file diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index c6b23e87..a6b09f6b 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -24,7 +24,10 @@ export CONFIG_FILE="${CI_SUPPORT}/${CONFIG}.yaml" cat >~/.condarc < /dev/null +if [[ -f "${FEEDSTOCK_ROOT}/LICENSE.txt" ]]; then + cp "${FEEDSTOCK_ROOT}/LICENSE.txt" "${RECIPE_ROOT}/recipe-scripts-license.txt" +fi + if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then if [[ "x${BUILD_OUTPUT_ID:-}" != "x" ]]; then EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --output-id ${BUILD_OUTPUT_ID}" diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index 3d855059..736a39a0 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -61,6 +61,10 @@ if [[ "${HOST_PLATFORM}" != "${BUILD_PLATFORM}" ]]; then fi +if [[ -f LICENSE.txt ]]; then + cp LICENSE.txt "recipe/recipe-scripts-license.txt" +fi + if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then if [[ "x${BUILD_OUTPUT_ID:-}" != "x" ]]; then EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --output-id ${BUILD_OUTPUT_ID}" diff --git a/LICENSE.txt b/LICENSE.txt index 6ec14012..2ec51d75 100644 --- a/LICENSE.txt +++ b/LICENSE.txt @@ -1,13 +1,27 @@ -BSD 3-clause license +BSD-3-Clause license Copyright (c) 2015-2022, conda-forge contributors All rights reserved. -Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: +Redistribution and use in source and binary forms, with or without +modification, are permitted provided that the following conditions are met: -1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. + 1. Redistributions of source code must retain the above copyright notice, + this list of conditions and the following disclaimer. + 2. Redistributions in binary form must reproduce the above copyright + notice, this list of conditions and the following disclaimer in the + documentation and/or other materials provided with the distribution. + 3. Neither the name of the copyright holder nor the names of its + contributors may be used to endorse or promote products derived from + this software without specific prior written permission. -2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. - -3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. - -THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" +AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE +IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE +ARE DISCLAIMED. IN NO EVENT SHALL THE REGENTS OR CONTRIBUTORS BE LIABLE FOR +ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL +DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR +SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER +CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT +LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY +OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH +DAMAGE. diff --git a/README.md b/README.md index 1d78bea6..b6caa9db 100644 --- a/README.md +++ b/README.md @@ -5,7 +5,7 @@ Home: http://openmm.org Package license: LGPL-3.0-or-later -Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/openmm-feedstock/blob/master/LICENSE.txt) +Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/openmm-feedstock/blob/main/LICENSE.txt) Summary: A high performance toolkit for molecular simulation. @@ -33,381 +33,381 @@ Current build status
- - + + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + @@ -435,18 +435,43 @@ conda config --add channels conda-forge conda config --set channel_priority strict ``` -Once the `conda-forge` channel has been enabled, `openmm` can be installed with: +Once the `conda-forge` channel has been enabled, `openmm` can be installed with `conda`: ``` conda install openmm ``` -It is possible to list all of the versions of `openmm` available on your platform with: +or with `mamba`: + +``` +mamba install openmm +``` + +It is possible to list all of the versions of `openmm` available on your platform with `conda`: ``` conda search openmm --channel conda-forge ``` +or with `mamba`: + +``` +mamba search openmm --channel conda-forge +``` + +Alternatively, `mamba repoquery` may provide more information: + +``` +# Search all versions available on your platform: +mamba repoquery search openmm --channel conda-forge + +# List packages depending on `openmm`: +mamba repoquery whoneeds openmm --channel conda-forge + +# List dependencies of `openmm`: +mamba repoquery depends openmm --channel conda-forge +``` + About conda-forge ================= @@ -462,10 +487,12 @@ for each of the installable packages. Such a repository is known as a *feedstock A feedstock is made up of a conda recipe (the instructions on what and how to build the package) and the necessary configurations for automatic building using freely available continuous integration services. Thanks to the awesome service provided by -[CircleCI](https://circleci.com/), [AppVeyor](https://www.appveyor.com/) -and [TravisCI](https://travis-ci.com/) it is possible to build and upload installable -packages to the [conda-forge](https://anaconda.org/conda-forge) -[Anaconda-Cloud](https://anaconda.org/) channel for Linux, Windows and OSX respectively. +[Azure](https://azure.microsoft.com/en-us/services/devops/), [GitHub](https://github.com/), +[CircleCI](https://circleci.com/), [AppVeyor](https://www.appveyor.com/), +[Drone](https://cloud.drone.io/welcome), and [TravisCI](https://travis-ci.com/) +it is possible to build and upload installable packages to the +[conda-forge](https://anaconda.org/conda-forge) [Anaconda-Cloud](https://anaconda.org/) +channel for Linux, Windows and OSX respectively. To manage the continuous integration and simplify feedstock maintenance [conda-smithy](https://github.com/conda-forge/conda-smithy) has been developed. @@ -514,5 +541,6 @@ Feedstock Maintainers * [@jaimergp](https://github.com/jaimergp/) * [@jchodera](https://github.com/jchodera/) +* [@mikemhenry](https://github.com/mikemhenry/) * [@peastman](https://github.com/peastman/) diff --git a/build-locally.py b/build-locally.py index eec38a04..3f4b7a79 100755 --- a/build-locally.py +++ b/build-locally.py @@ -86,12 +86,19 @@ def main(args=None): verify_config(ns) setup_environment(ns) - if ns.config.startswith("linux") or ( - ns.config.startswith("osx") and platform.system() == "Linux" - ): - run_docker_build(ns) - elif ns.config.startswith("osx"): - run_osx_build(ns) + try: + if ns.config.startswith("linux") or ( + ns.config.startswith("osx") and platform.system() == "Linux" + ): + run_docker_build(ns) + elif ns.config.startswith("osx"): + run_osx_build(ns) + finally: + recipe_license_file = os.path.join( + "recipe", "recipe-scripts-license.txt" + ) + if os.path.exists(recipe_license_file): + os.remove(recipe_license_file) if __name__ == "__main__": From 4133fa6f8e8ef464e08c76b32103226bfdf8eafb Mon Sep 17 00:00:00 2001 From: peastman Date: Thu, 7 Jul 2022 12:32:52 -0700 Subject: [PATCH 03/23] Use newer glibc --- recipe/meta.yaml | 1 + 1 file changed, 1 insertion(+) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index c38d077e..093797b6 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -40,6 +40,7 @@ requirements: - {{ compiler('cxx') }} - {{ compiler('cuda') }} # [linux64 or ppc64le or win] - {{ cdt('mesa-libgl-devel') }} # [linux] + - sysroot_linux-64 2.17 # [linux64] - cmake - make # [unix] - jom # [win] From 68ccd10c7f8fb0a1e6efaafd41495a2baf7e1a33 Mon Sep 17 00:00:00 2001 From: peastman Date: Thu, 7 Jul 2022 12:38:44 -0700 Subject: [PATCH 04/23] Updated linux version --- conda-forge.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/conda-forge.yml b/conda-forge.yml index 9f2e05f5..55195776 100644 --- a/conda-forge.yml +++ b/conda-forge.yml @@ -11,3 +11,5 @@ test_on_native_only: true github: branch_name: main tooling_branch_name: main +os_version: + linux_64: cos7 From a685e39d98a4cbec7665b7a1e52718fe4239c039 Mon Sep 17 00:00:00 2001 From: "conda-forge-webservices[bot]" <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Date: Thu, 7 Jul 2022 19:46:22 +0000 Subject: [PATCH 05/23] MNT: Re-rendered with conda-build 3.21.9, conda-smithy 3.21.0, and conda-forge-pinning 2022.07.06.01.52.02 --- ...10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml | 2 +- ...10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml | 2 +- ...10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml | 2 +- ...10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml | 2 +- ...0.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml index 33c4e385..3bdd073f 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml index cca3aaf4..5c770473 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml index fa1e226c..2fa1454d 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml index 768f2229..fea80e5a 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml index a032344f..106c2643 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: c_compiler_version: - '7' cdt_name: -- cos6 +- cos7 channel_sources: - conda-forge channel_targets: From e7d3c97ffe45e1b2e9a18cb706067d1000c59d61 Mon Sep 17 00:00:00 2001 From: peastman Date: Tue, 13 Sep 2022 12:10:22 -0700 Subject: [PATCH 06/23] Updated beta for 8.0 --- recipe/meta.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 093797b6..0cb68a9e 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} {% set version = "8.0.0beta" %} -{% set build = 0 %} +{% set build = 1 %} {% set with_test_suite = "false" %} {% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "1dac981" + git_rev: "a056d5a" build: number: {{ build }} From 036712c3b1647d28ee2bb5d1df6c1581a6390a70 Mon Sep 17 00:00:00 2001 From: "conda-forge-webservices[bot]" <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Date: Tue, 13 Sep 2022 19:16:37 +0000 Subject: [PATCH 07/23] MNT: Re-rendered with conda-build 3.22.0, conda-smithy 3.21.1, and conda-forge-pinning 2022.09.13.19.09.01 --- .azure-pipelines/azure-pipelines-linux.yml | 116 ++++------- .azure-pipelines/azure-pipelines-osx.yml | 71 +++---- .azure-pipelines/azure-pipelines-win.yml | 73 ++++--- ...rsion10numpy1.19python3.7.____73_pypy.yaml | 38 ---- ...sion10numpy1.20python3.7.____cpython.yaml} | 2 +- ...sion10numpy1.20python3.8.____cpython.yaml} | 2 +- ...sion10numpy1.20python3.9.____cpython.yaml} | 2 +- ...rsion10numpy1.19python3.7.____73_pypy.yaml | 38 ---- ...sion10numpy1.20python3.7.____cpython.yaml} | 2 +- ...sion10numpy1.20python3.8.____cpython.yaml} | 2 +- ...sion10numpy1.20python3.9.____cpython.yaml} | 2 +- ...ersion7numpy1.19python3.7.____73_pypy.yaml | 38 ---- ...rsion7numpy1.20python3.7.____cpython.yaml} | 2 +- ...rsion7numpy1.20python3.8.____cpython.yaml} | 2 +- ...rsion7numpy1.20python3.9.____cpython.yaml} | 2 +- ...ersion9numpy1.19python3.7.____73_pypy.yaml | 38 ---- ...rsion9numpy1.20python3.7.____cpython.yaml} | 2 +- ...rsion9numpy1.20python3.8.____cpython.yaml} | 2 +- ...rsion9numpy1.20python3.9.____cpython.yaml} | 2 +- ...arch64_numpy1.19python3.7.____73_pypy.yaml | 40 ---- ...rch64_numpy1.20python3.7.____cpython.yaml} | 2 +- ...rch64_numpy1.20python3.8.____cpython.yaml} | 2 +- ...rch64_numpy1.20python3.9.____cpython.yaml} | 2 +- .ci_support/migrations/pypy37.yaml | 30 --- .ci_support/migrations/python310.yaml | 34 --- ...opencl_implapplepython3.7.____73_pypy.yaml | 37 ---- ...encl_implkhronospython3.7.____73_pypy.yaml | 37 ---- ...pencl_implapplepython3.7.____cpython.yaml} | 6 +- ...pencl_implapplepython3.8.____cpython.yaml} | 6 +- ...pencl_implapplepython3.9.____cpython.yaml} | 6 +- ...ncl_implkhronospython3.7.____cpython.yaml} | 6 +- ...ncl_implkhronospython3.8.____cpython.yaml} | 6 +- ...ncl_implkhronospython3.9.____cpython.yaml} | 6 +- ...pencl_implapplepython3.10.____cpython.yaml | 4 +- ...ncl_implkhronospython3.10.____cpython.yaml | 4 +- ...pencl_implapplepython3.8.____cpython.yaml} | 6 +- ...pencl_implapplepython3.9.____cpython.yaml} | 6 +- ...ncl_implkhronospython3.8.____cpython.yaml} | 6 +- ...ncl_implkhronospython3.9.____cpython.yaml} | 6 +- ...pencl_implapplepython3.10.____cpython.yaml | 4 +- ...ncl_implkhronospython3.10.____cpython.yaml | 4 +- ...on10.2numpy1.20python3.7.____cpython.yaml} | 6 +- ...on10.2numpy1.20python3.8.____cpython.yaml} | 6 +- ...on10.2numpy1.20python3.9.____cpython.yaml} | 6 +- ...on11.0numpy1.20python3.7.____cpython.yaml} | 6 +- ...on11.0numpy1.20python3.8.____cpython.yaml} | 6 +- ...on11.0numpy1.20python3.9.____cpython.yaml} | 6 +- ...on11.1numpy1.20python3.7.____cpython.yaml} | 6 +- ...on11.1numpy1.20python3.8.____cpython.yaml} | 6 +- ...on11.1numpy1.20python3.9.____cpython.yaml} | 6 +- ...on11.2numpy1.20python3.7.____cpython.yaml} | 6 +- ...on11.2numpy1.20python3.8.____cpython.yaml} | 6 +- ...on11.2numpy1.20python3.9.____cpython.yaml} | 6 +- README.md | 197 +++++++----------- 54 files changed, 275 insertions(+), 690 deletions(-) delete mode 100644 .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml => linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython.yaml} (98%) rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml => 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win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml} (91%) rename .ci_support/{win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml => win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml} (91%) rename .ci_support/{win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml => win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython.yaml} (91%) rename .ci_support/{win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml => win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml} (91%) rename .ci_support/{win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml => win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml} (91%) diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index 1f1a9e0d..4592adb7 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -8,132 +8,106 @@ jobs: vmImage: ubuntu-latest strategy: matrix: - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hba4c860a1a - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h73b1f5b1d1 + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_he878b87cd0 - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h5389ee5683 + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h9c93f6eb74 - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hfd4fbc9561 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hb57a129962 linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython: CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h2751d9faff - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc24dab8746 - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h30fb98d63c + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h9e2f447dc5 - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc644ec66fe + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h1d358c3c27 - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hed6b790be5 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h2a2c77454b linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython: CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h0dbcfba145 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h7423c086a8 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h82793cd7ea - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h2e3d8d30c2 + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h8c60c41cc3 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_hcab811f76d + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_hc8c3f43499 + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h8f3a96c83b linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython: CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h172a199072 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hcba064f835 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h2af77520fd - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hbddc598591 + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h41ee2a991b - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h50358cd8d8 + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hdd93569955 + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hd5c4d83b9a linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython: CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h97cf3b29ee - linux_aarch64_numpy1.19python3.7.____73_pypy: - CONFIG: linux_aarch64_numpy1.19python3.7.____73_pypy - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.19python3.7.____73_pypy - linux_aarch64_numpy1.19python3.7.____cpython: - CONFIG: linux_aarch64_numpy1.19python3.7.____cpython + linux_aarch64_numpy1.20python3.7.____cpython: + CONFIG: linux_aarch64_numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.19python3.7.____cpython - linux_aarch64_numpy1.19python3.8.____cpython: - CONFIG: linux_aarch64_numpy1.19python3.8.____cpython + SHORT_CONFIG: linux_aarch64_numpy1.20python3.7.____cpython + linux_aarch64_numpy1.20python3.8.____cpython: + CONFIG: linux_aarch64_numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.19python3.8.____cpython - linux_aarch64_numpy1.19python3.9.____cpython: - CONFIG: linux_aarch64_numpy1.19python3.9.____cpython + SHORT_CONFIG: linux_aarch64_numpy1.20python3.8.____cpython + linux_aarch64_numpy1.20python3.9.____cpython: + CONFIG: linux_aarch64_numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.19python3.9.____cpython + SHORT_CONFIG: linux_aarch64_numpy1.20python3.9.____cpython linux_aarch64_numpy1.21python3.10.____cpython: CONFIG: linux_aarch64_numpy1.21python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_aarch64_numpy1.21python3.10.____cpython - maxParallel: 24 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index 4dea0363..fe34d060 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -5,41 +5,33 @@ jobs: - job: osx pool: - vmImage: macOS-10.15 + vmImage: macOS-11 strategy: matrix: - osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy: - CONFIG: osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy + osx_64_numpy1.20opencl_implapplepython3.7.____cpython: + CONFIG: osx_64_numpy1.20opencl_implapplepython3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h7ce1dd6275 - osx_64_numpy1.19opencl_implapplepython3.7.____cpython: - CONFIG: osx_64_numpy1.19opencl_implapplepython3.7.____cpython + SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_h54f26464a3 + osx_64_numpy1.20opencl_implapplepython3.8.____cpython: + CONFIG: osx_64_numpy1.20opencl_implapplepython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h0afc153fc8 - osx_64_numpy1.19opencl_implapplepython3.8.____cpython: - CONFIG: osx_64_numpy1.19opencl_implapplepython3.8.____cpython + SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_hb7e1ab75ca + osx_64_numpy1.20opencl_implapplepython3.9.____cpython: + CONFIG: osx_64_numpy1.20opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h044988d856 - osx_64_numpy1.19opencl_implapplepython3.9.____cpython: - CONFIG: osx_64_numpy1.19opencl_implapplepython3.9.____cpython + SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_h9b669d72c4 + osx_64_numpy1.20opencl_implkhronospython3.7.____cpython: + CONFIG: osx_64_numpy1.20opencl_implkhronospython3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.19opencl_implapplepyt_h080fe3a7ef - osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy: - CONFIG: osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy + SHORT_CONFIG: osx_64_numpy1.20opencl_implkhronosp_h4af91d72fb + osx_64_numpy1.20opencl_implkhronospython3.8.____cpython: + CONFIG: osx_64_numpy1.20opencl_implkhronospython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_h8f345da7e0 - osx_64_numpy1.19opencl_implkhronospython3.7.____cpython: - CONFIG: osx_64_numpy1.19opencl_implkhronospython3.7.____cpython + SHORT_CONFIG: osx_64_numpy1.20opencl_implkhronosp_ha23011d7b3 + osx_64_numpy1.20opencl_implkhronospython3.9.____cpython: + CONFIG: osx_64_numpy1.20opencl_implkhronospython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_he0ae06a9e4 - osx_64_numpy1.19opencl_implkhronospython3.8.____cpython: - CONFIG: osx_64_numpy1.19opencl_implkhronospython3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_h1c9ea6b919 - osx_64_numpy1.19opencl_implkhronospython3.9.____cpython: - CONFIG: osx_64_numpy1.19opencl_implkhronospython3.9.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.19opencl_implkhronosp_h8e02932fe5 + SHORT_CONFIG: osx_64_numpy1.20opencl_implkhronosp_hdda32f648c osx_64_numpy1.21opencl_implapplepython3.10.____cpython: CONFIG: osx_64_numpy1.21opencl_implapplepython3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -48,22 +40,22 @@ jobs: CONFIG: osx_64_numpy1.21opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.21opencl_implkhronosp_h0bc6add440 - osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython: - CONFIG: osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython + osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython: + CONFIG: osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.19opencl_implapple_ha87088636f - osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython: - CONFIG: osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython + SHORT_CONFIG: osx_arm64_numpy1.20opencl_implapple_hb56b02eb8e + osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython: + CONFIG: osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.19opencl_implapple_h861258c607 - osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython: - CONFIG: osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython + SHORT_CONFIG: osx_arm64_numpy1.20opencl_implapple_he4f7fd527f + osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython: + CONFIG: osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.19opencl_implkhron_h9da2f8ebb4 - osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython: - CONFIG: osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython + SHORT_CONFIG: osx_arm64_numpy1.20opencl_implkhron_hea1d3745fe + osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython: + CONFIG: osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.19opencl_implkhron_h781083cf47 + SHORT_CONFIG: osx_arm64_numpy1.20opencl_implkhron_hbaca95ab19 osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython: CONFIG: osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -72,7 +64,6 @@ jobs: CONFIG: osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_arm64_numpy1.21opencl_implkhron_h1b495945d9 - maxParallel: 15 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index f80f7943..bdea77e9 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -8,55 +8,54 @@ jobs: vmImage: windows-2019 strategy: matrix: - win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython + win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hf580deaa48 - win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hfc643c3897 + win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hffe94ff147 - win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h5ce4fb4684 + win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hfd851b7be2 - win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h7476aa8f61 + win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h7988b3b7d1 - win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_hd67af91c65 + win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h0b869159d7 - win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h0f42e2a2d0 + win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h70fffaf8a7 - win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_hd1d44fb2a7 + win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h360ae9e970 - win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h051d91db72 + win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_ha556998785 - win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hf101515db1 + win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hceadb1a9ac - win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hd7568089ff + win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h377648b46a - win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h8babf5402e + win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hc277f77dfb - win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hfb470cab27 + win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h9e115fdbdb - maxParallel: 11 + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_he8609bbd37 timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml deleted file mode 100644 index e5530944..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 -numpy: -- '1.19' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.7.* *_73_pypy -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython.yaml index 6ef1e293..56f5e221 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml index 19c0cd9f..5fec8569 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml index 0690e69d..9928781d 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml deleted file mode 100644 index eefb600f..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.2 -numpy: -- '1.19' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.7.* *_73_pypy -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython.yaml index fd8d1bc6..deaa56dc 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml index 25f079cc..55773940 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml index 5b243593..301ad65a 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml deleted file mode 100644 index 3bdd073f..00000000 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '7' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '7' -docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -numpy: -- '1.19' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.7.* *_73_pypy -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython.yaml index 5c770473..f01b4dce 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml index 2fa1454d..778d300e 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml index fea80e5a..449029d3 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml deleted file mode 100644 index 4ab0fbe6..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.19' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.7.* *_73_pypy -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython.yaml index 2a00f16a..c424c610 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml index 72498db9..24eb4bcd 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml similarity index 98% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml index 31a19ef9..1dcac203 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml b/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml deleted file mode 100644 index b7977c7d..00000000 --- a/.ci_support/linux_aarch64_numpy1.19python3.7.____73_pypy.yaml +++ /dev/null @@ -1,40 +0,0 @@ -BUILD: -- aarch64-conda_cos7-linux-gnu -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_arch: -- aarch64 -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler_version: -- None -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cos7-x86_64 -numpy: -- '1.19' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.7.* *_73_pypy -target_platform: -- linux-aarch64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.20python3.7.____cpython.yaml similarity index 98% rename from .ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml rename to .ci_support/linux_aarch64_numpy1.20python3.7.____cpython.yaml index 775143f0..69223f2b 100644 --- a/.ci_support/linux_aarch64_numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.20python3.7.____cpython.yaml @@ -21,7 +21,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml similarity index 98% rename from .ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml rename to .ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml index edd657c0..779e9b7f 100644 --- a/.ci_support/linux_aarch64_numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml @@ -21,7 +21,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml similarity index 98% rename from .ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml rename to .ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml index 6fa6703f..10e7e0f6 100644 --- a/.ci_support/linux_aarch64_numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml @@ -21,7 +21,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/migrations/pypy37.yaml b/.ci_support/migrations/pypy37.yaml deleted file mode 100644 index 0009dd3d..00000000 --- a/.ci_support/migrations/pypy37.yaml +++ /dev/null @@ -1,30 +0,0 @@ -migrator_ts: 1608144114 -__migrator: - migration_number: 1 - operation: key_add - primary_key: python - ordering: - python: - - 3.6.* *_cpython - - 3.7.* *_cpython - - 3.8.* *_cpython - - 3.9.* *_cpython - - 3.6.* *_73_pypy - - 3.7.* *_73_pypy # new entry - paused: False - longterm: True - pr_limit: 6 - bump_number: 0 - exclude: - # this shouldn't attempt to modify the python feedstocks - - python - - pypy3.6 - - pypy-meta - -python: # [not (win or arm64)] - - 3.7.* *_73_pypy # [not (win or arm64)] -# additional entries to add for zip_keys -numpy: # [not (win or arm64)] - - 1.19 # [not (win or arm64)] -python_impl: # [not (win or arm64)] - - pypy # [not (win or arm64)] diff --git a/.ci_support/migrations/python310.yaml b/.ci_support/migrations/python310.yaml deleted file mode 100644 index c31e9914..00000000 --- a/.ci_support/migrations/python310.yaml +++ /dev/null @@ -1,34 +0,0 @@ -migrator_ts: 1634137107 -__migrator: - migration_number: 1 - operation: key_add - primary_key: python - ordering: - python: - - 3.6.* *_cpython - - 3.7.* *_cpython - - 3.8.* *_cpython - - 3.9.* *_cpython - - 3.10.* *_cpython # new entry - - 3.6.* *_73_pypy - - 3.7.* *_73_pypy - paused: false - longterm: True - pr_limit: 40 - max_solver_attempts: 10 # this will make the bot retry "not solvable" stuff 10 times - exclude: - # this shouldn't attempt to modify the python feedstocks - - python - - pypy3.6 - - pypy-meta - - cross-python - - python_abi - exclude_pinned_pkgs: false - -python: - - 3.10.* *_cpython -# additional entries to add for zip_keys -numpy: - - 1.21 -python_impl: - - cpython diff --git a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml b/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml deleted file mode 100644 index 03dc8519..00000000 --- a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy.yaml +++ /dev/null @@ -1,37 +0,0 @@ -MACOSX_DEPLOYMENT_TARGET: -- '10.9' -MACOSX_SDK_VERSION: -- '10.12' -c_compiler: -- clang -c_compiler_version: -- '13' -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler_version: -- None -cxx_compiler: -- clangxx -cxx_compiler_version: -- '13' -macos_machine: -- x86_64-apple-darwin13.4.0 -numpy: -- '1.19' -opencl_impl: -- apple -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.7.* *_73_pypy -target_platform: -- osx-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version -- - python - - numpy diff --git a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml b/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml deleted file mode 100644 index fbd5500a..00000000 --- a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy.yaml +++ /dev/null @@ -1,37 +0,0 @@ -MACOSX_DEPLOYMENT_TARGET: -- '10.9' -MACOSX_SDK_VERSION: -- '10.12' -c_compiler: -- clang -c_compiler_version: -- '13' -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler_version: -- None -cxx_compiler: -- clangxx -cxx_compiler_version: -- '13' -macos_machine: -- x86_64-apple-darwin13.4.0 -numpy: -- '1.19' -opencl_impl: -- khronos -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.7.* *_73_pypy -target_platform: -- osx-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version -- - python - - numpy diff --git a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml b/.ci_support/osx_64_numpy1.20opencl_implapplepython3.7.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml rename to .ci_support/osx_64_numpy1.20opencl_implapplepython3.7.____cpython.yaml index a7151094..2b026a3e 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.7.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.20opencl_implapplepython3.7.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.19' +- '1.20' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml index 8382ea02..052ce675 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.19' +- '1.20' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml rename to .ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml index 21f6309a..c9ec16db 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.19' +- '1.20' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml b/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.7.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml rename to .ci_support/osx_64_numpy1.20opencl_implkhronospython3.7.____cpython.yaml index 812ecd1d..08567235 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.7.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.7.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.19' +- '1.20' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml index dd07037a..1b54d2b3 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.19' +- '1.20' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml rename to .ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml index ea050967..a2518e76 100644 --- a/.ci_support/osx_64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.19' +- '1.20' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml index 4bf33b20..6c1f06b0 100644 --- a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml index fd47407e..d4b6c3f6 100644 --- a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml index d79c0fdc..c23d8faf 100644 --- a/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.19' +- '1.20' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml index 7d88a7d5..563720be 100644 --- a/.ci_support/osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.19' +- '1.20' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml index d8618194..ea3dfc9d 100644 --- a/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.19' +- '1.20' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml index 3a35c067..f9eb4ff2 100644 --- a/.ci_support/osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.19' +- '1.20' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml index 3c6db7d8..3b21fd04 100644 --- a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml index c01c7822..bf280dcf 100644 --- a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '13' +- '14' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '13' +- '14' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython.yaml index 9ee3c79e..0fd920f0 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '10.2' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml index 6866899b..d48b4778 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '10.2' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml index 7f5cb650..d1c1fc96 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '10.2' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython.yaml index 6baddf01..52aa0d07 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.0' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml index f73d7259..5bbc9be1 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.0' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml index a2eac4e1..413a578f 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.0' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython.yaml index 7eb0eb1c..96ce0793 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.1' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml index ae3336f9..5cc511ff 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.1' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml index 131de21b..eff4a82b 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.1' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython.yaml index 64484d8b..824e8d16 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.2' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml index 53f78e68..231ecb8d 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.2' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml index 7f246a7b..32d32197 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml @@ -1,5 +1,5 @@ c_compiler: -- vs2017 +- vs2019 channel_sources: - conda-forge channel_targets: @@ -9,9 +9,9 @@ cuda_compiler: cuda_compiler_version: - '11.2' cxx_compiler: -- vs2017 +- vs2019 numpy: -- '1.19' +- '1.20' pin_run_as_build: python: min_pin: x.x diff --git a/README.md b/README.md index b6caa9db..30519e7c 100644 --- a/README.md +++ b/README.md @@ -40,31 +40,24 @@ Current build status
VariantStatus
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.7.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypy - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.18python3.8.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpython - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypylinux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpython - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.7.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.18python3.8.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpython - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypylinux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpython - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpython - - variant + + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython - - variant + + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.7.____cpythonlinux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypy - - variant + + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.18python3.8.____cpythonlinux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpython - - variant + + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypylinux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpython - - variant + + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython - - variant + + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython - - variant + + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.7.____cpythonlinux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypy - - variant + + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.18python3.8.____cpythonlinux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpython - - variant + + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypylinux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpython - - variant + + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython - - variant + + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython - - variant + + variant
linux_aarch64_numpy1.18python3.7.____cpythonlinux_aarch64_numpy1.19python3.7.____73_pypy - - variant + + variant
linux_aarch64_numpy1.18python3.8.____cpythonlinux_aarch64_numpy1.19python3.7.____cpython - - variant + + variant
linux_aarch64_numpy1.19python3.7.____73_pypylinux_aarch64_numpy1.19python3.8.____cpython - - variant + + variant
linux_aarch64_numpy1.19python3.9.____cpython - - variant + + variant
linux_aarch64_numpy1.21python3.10.____cpython - - variant + + variant
osx_64_numpy1.18opencl_implapplepython3.7.____cpythonosx_64_numpy1.19opencl_implapplepython3.7.____73_pypy - - variant + + variant
osx_64_numpy1.18opencl_implapplepython3.8.____cpythonosx_64_numpy1.19opencl_implapplepython3.7.____cpython - - variant + + variant
osx_64_numpy1.18opencl_implkhronospython3.7.____cpythonosx_64_numpy1.19opencl_implapplepython3.8.____cpython - - variant + + variant
osx_64_numpy1.18opencl_implkhronospython3.8.____cpythonosx_64_numpy1.19opencl_implapplepython3.9.____cpython - - variant + + variant
osx_64_numpy1.19opencl_implapplepython3.7.____73_pypyosx_64_numpy1.19opencl_implkhronospython3.7.____73_pypy - - variant + + variant
osx_64_numpy1.19opencl_implapplepython3.9.____cpythonosx_64_numpy1.19opencl_implkhronospython3.7.____cpython - - variant + + variant
osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypyosx_64_numpy1.19opencl_implkhronospython3.8.____cpython - - variant + + variant
osx_64_numpy1.19opencl_implkhronospython3.9.____cpython - - variant + + variant
osx_64_numpy1.21opencl_implapplepython3.10.____cpython - - variant + + variant
osx_64_numpy1.21opencl_implkhronospython3.10.____cpython - - variant + + variant
osx_arm64_numpy1.19opencl_implapplepython3.8.____cpython - - variant + + variant
osx_arm64_numpy1.19opencl_implapplepython3.9.____cpython - - variant + + variant
osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpython - - variant + + variant
osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpython - - variant + + variant
osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython - - variant + + variant
osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython - - variant + + variant
win_64_cuda_compiler_version10.2numpy1.18python3.7.____cpythonwin_64_cuda_compiler_version10.2numpy1.19python3.7.____cpython - - variant + + variant
win_64_cuda_compiler_version10.2numpy1.18python3.8.____cpythonwin_64_cuda_compiler_version10.2numpy1.19python3.8.____cpython - - variant + + variant
win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpython - - variant + + variant
win_64_cuda_compiler_version11.0numpy1.18python3.7.____cpythonwin_64_cuda_compiler_version11.0numpy1.19python3.7.____cpython - - variant + + variant
win_64_cuda_compiler_version11.0numpy1.18python3.8.____cpythonwin_64_cuda_compiler_version11.0numpy1.19python3.8.____cpython - - variant + + variant
win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpython - - variant + + variant
win_64_cuda_compiler_version11.1numpy1.18python3.7.____cpythonwin_64_cuda_compiler_version11.1numpy1.19python3.7.____cpython - - variant + + variant
win_64_cuda_compiler_version11.1numpy1.18python3.8.____cpythonwin_64_cuda_compiler_version11.1numpy1.19python3.8.____cpython - - variant + + variant
win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpython - - variant + + variant
win_64_cuda_compiler_version11.2numpy1.18python3.7.____cpythonwin_64_cuda_compiler_version11.2numpy1.19python3.7.____cpython - - variant + + variant
win_64_cuda_compiler_version11.2numpy1.18python3.8.____cpythonwin_64_cuda_compiler_version11.2numpy1.19python3.8.____cpython - - variant + + variant
win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpython - - variant + + variant
- + - + - + - - - @@ -75,31 +68,24 @@ Current build status - - - - + - + - + @@ -110,31 +96,24 @@ Current build status - + - + - + - - - @@ -145,31 +124,24 @@ Current build status - + - + - + - - - @@ -180,31 +152,24 @@ Current build status - + - + - + - - - @@ -215,59 +180,45 @@ Current build status - - - - - - - + - + - + - + - + - + @@ -285,31 +236,31 @@ Current build status - + - + - + - + @@ -327,87 +278,87 @@ Current build status - + - + - + - + - + - + - + - + - + - + - + - + From 0066dc1816ef6fe89f159d273dbd16d8d0c49991 Mon Sep 17 00:00:00 2001 From: peastman Date: Wed, 14 Sep 2022 10:24:19 -0700 Subject: [PATCH 08/23] Try not packaging tests --- recipe/meta.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 0cb68a9e..fcba8463 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -2,7 +2,7 @@ {% set version = "8.0.0beta" %} {% set build = 1 %} {% set with_test_suite = "false" %} -{% set with_test_suite = "true" %} # [(osx and arm64)] +#{% set with_test_suite = "true" %} # [(osx and arm64)] package: name: {{ name }} From d7ef88309a6a44caff2c752e75ada7f2ce6563bb Mon Sep 17 00:00:00 2001 From: peastman Date: Fri, 30 Sep 2022 11:16:44 -0700 Subject: [PATCH 09/23] Updated beta for 8.0 --- recipe/meta.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index fcba8463..072a8177 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} {% set version = "8.0.0beta" %} -{% set build = 1 %} +{% set build = 2 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "a056d5a" + git_rev: "cf82438" build: number: {{ build }} From 3506d40a3235ac0c59a2c3f20c5721d812685c2e Mon Sep 17 00:00:00 2001 From: "conda-forge-curator[bot]" <79913779+conda-forge-curator[bot]@users.noreply.github.com> Date: Wed, 2 Nov 2022 19:48:20 +0000 Subject: [PATCH 10/23] [ci skip] [skip ci] [cf admin skip] ***NO_CI*** admin migration CondaForgeAutomergeUpdate --- .github/workflows/automerge.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/automerge.yml b/.github/workflows/automerge.yml index 773b3d12..da1368a1 100644 --- a/.github/workflows/automerge.yml +++ b/.github/workflows/automerge.yml @@ -10,7 +10,7 @@ jobs: name: automerge steps: - name: checkout - uses: actions/checkout@v2 + uses: actions/checkout@v3 - name: automerge-action id: automerge-action uses: conda-forge/automerge-action@main From 757e962b8bd3bfe1a513c54585931ecd506ce7b9 Mon Sep 17 00:00:00 2001 From: "conda-forge-curator[bot]" <79913779+conda-forge-curator[bot]@users.noreply.github.com> Date: Thu, 17 Nov 2022 23:31:44 +0000 Subject: [PATCH 11/23] [ci skip] [skip ci] [cf admin skip] ***NO_CI*** admin migration DotConda --- conda-forge.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/conda-forge.yml b/conda-forge.yml index 55195776..cec78817 100644 --- a/conda-forge.yml +++ b/conda-forge.yml @@ -13,3 +13,5 @@ github: tooling_branch_name: main os_version: linux_64: cos7 +conda_build: + pkg_format: '2' From 927091e1f77f167fd8cb9385c7304b289eaef419 Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Tue, 10 Jan 2023 12:54:55 -0800 Subject: [PATCH 12/23] Release candidate for 8.0 (#95) * Release candidate for 8.0 * MNT: Re-rendered with conda-build 3.23.3, conda-smithy 3.22.1, and conda-forge-pinning 2023.01.07.12.45.19 * python 3.11 migration Co-authored-by: conda-forge-webservices[bot] <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> --- .azure-pipelines/azure-pipelines-linux.yml | 43 ++--- .azure-pipelines/azure-pipelines-osx.yml | 25 ++- .azure-pipelines/azure-pipelines-win.yml | 49 +++-- ...ion10numpy1.23python3.11.____cpython.yaml} | 4 +- ...ion10numpy1.23python3.11.____cpython.yaml} | 4 +- ...sion7numpy1.23python3.11.____cpython.yaml} | 4 +- ...sion9numpy1.23python3.11.____cpython.yaml} | 4 +- ...arch64_numpy1.20python3.8.____cpython.yaml | 4 +- ...arch64_numpy1.20python3.9.____cpython.yaml | 4 +- ...rch64_numpy1.21python3.10.____cpython.yaml | 4 +- ...ch64_numpy1.23python3.11.____cpython.yaml} | 8 +- .ci_support/migrations/python311.yaml | 37 ++++ ...encl_implapplepython3.11.____cpython.yaml} | 4 +- ...cl_implkhronospython3.11.____cpython.yaml} | 4 +- ...pencl_implapplepython3.11.____cpython.yaml | 35 ++++ ...ncl_implkhronospython3.11.____cpython.yaml | 35 ++++ ...n10.2numpy1.21python3.10.____cpython.yaml} | 4 +- ...on10.2numpy1.23python3.11.____cpython.yaml | 25 +++ ...n11.0numpy1.21python3.10.____cpython.yaml} | 4 +- ...on11.0numpy1.23python3.11.____cpython.yaml | 25 +++ ...n11.1numpy1.21python3.10.____cpython.yaml} | 4 +- ...on11.1numpy1.23python3.11.____cpython.yaml | 25 +++ ...n11.2numpy1.21python3.10.____cpython.yaml} | 4 +- ...on11.2numpy1.23python3.11.____cpython.yaml | 25 +++ .circleci/config.yml | 2 +- .scripts/build_steps.sh | 4 +- .scripts/run_osx_build.sh | 5 +- README.md | 174 +++++++++++------- recipe/meta.yaml | 8 +- 29 files changed, 428 insertions(+), 149 deletions(-) rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython.yaml => linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml} (95%) rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython.yaml => linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml} (95%) rename .ci_support/{linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython.yaml => linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml} (95%) rename .ci_support/{linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython.yaml => linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml} (95%) rename .ci_support/{linux_aarch64_numpy1.20python3.7.____cpython.yaml => linux_aarch64_numpy1.23python3.11.____cpython.yaml} (93%) create mode 100644 .ci_support/migrations/python311.yaml rename .ci_support/{osx_64_numpy1.20opencl_implapplepython3.7.____cpython.yaml => osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml} (94%) rename .ci_support/{osx_64_numpy1.20opencl_implkhronospython3.7.____cpython.yaml => osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml} (94%) create mode 100644 .ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml create mode 100644 .ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml rename .ci_support/{win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython.yaml => win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml} (91%) create mode 100644 .ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml rename .ci_support/{win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython.yaml => win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml} (91%) create mode 100644 .ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml rename .ci_support/{win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython.yaml => win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml} (91%) create mode 100644 .ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml rename .ci_support/{win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython.yaml => win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml} (91%) create mode 100644 .ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index 4592adb7..c320fe42 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -8,11 +8,6 @@ jobs: vmImage: ubuntu-latest strategy: matrix: - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h73b1f5b1d1 linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython: CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -28,11 +23,11 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h2751d9faff - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython + linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h30fb98d63c + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hf3102243de linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython: CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -48,11 +43,11 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h0dbcfba145 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython + linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython: + CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h2e3d8d30c2 + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h53d7830257 linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython: CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -68,11 +63,11 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h172a199072 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython + linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython: + CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hbddc598591 + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 + SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h7c05346da3 linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython: CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -88,11 +83,11 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h97cf3b29ee - linux_aarch64_numpy1.20python3.7.____cpython: - CONFIG: linux_aarch64_numpy1.20python3.7.____cpython + linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython: + CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.20python3.7.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 + SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h3cb1e222e6 linux_aarch64_numpy1.20python3.8.____cpython: CONFIG: linux_aarch64_numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -108,6 +103,12 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_aarch64_numpy1.21python3.10.____cpython + linux_aarch64_numpy1.23python3.11.____cpython: + CONFIG: linux_aarch64_numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_numpy1.23python3.11.____cpython + maxParallel: 19 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index fe34d060..5ff0fc6d 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -8,10 +8,6 @@ jobs: vmImage: macOS-11 strategy: matrix: - osx_64_numpy1.20opencl_implapplepython3.7.____cpython: - CONFIG: osx_64_numpy1.20opencl_implapplepython3.7.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_h54f26464a3 osx_64_numpy1.20opencl_implapplepython3.8.____cpython: CONFIG: osx_64_numpy1.20opencl_implapplepython3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -20,10 +16,6 @@ jobs: CONFIG: osx_64_numpy1.20opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_h9b669d72c4 - osx_64_numpy1.20opencl_implkhronospython3.7.____cpython: - CONFIG: osx_64_numpy1.20opencl_implkhronospython3.7.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implkhronosp_h4af91d72fb osx_64_numpy1.20opencl_implkhronospython3.8.____cpython: CONFIG: osx_64_numpy1.20opencl_implkhronospython3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -40,6 +32,14 @@ jobs: CONFIG: osx_64_numpy1.21opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.21opencl_implkhronosp_h0bc6add440 + osx_64_numpy1.23opencl_implapplepython3.11.____cpython: + CONFIG: osx_64_numpy1.23opencl_implapplepython3.11.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.23opencl_implapplepyt_hcb355df478 + osx_64_numpy1.23opencl_implkhronospython3.11.____cpython: + CONFIG: osx_64_numpy1.23opencl_implkhronospython3.11.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.23opencl_implkhronosp_h1b3f6d8cac osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython: CONFIG: osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -64,6 +64,15 @@ jobs: CONFIG: osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_arm64_numpy1.21opencl_implkhron_h1b495945d9 + osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython: + CONFIG: osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_arm64_numpy1.23opencl_implapple_hed80759bf2 + osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython: + CONFIG: osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_arm64_numpy1.23opencl_implkhron_h95b3c2c1e1 + maxParallel: 15 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index bdea77e9..86677cdd 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -8,10 +8,6 @@ jobs: vmImage: windows-2019 strategy: matrix: - win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_hfc643c3897 win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython: CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -20,10 +16,14 @@ jobs: CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h7476aa8f61 - win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython + win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_head2835e54 + win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython: + CONFIG: win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_hd67af91c65 + SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h1c766b7670 win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython: CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -32,10 +32,14 @@ jobs: CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version11.0num_hd1d44fb2a7 - win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython + win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_ha8f0746982 + win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython: + CONFIG: win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h051d91db72 + SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h96d9073a2b win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython: CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -44,10 +48,14 @@ jobs: CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hd7568089ff - win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython + win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h8babf5402e + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h2752598360 + win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython: + CONFIG: win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hf30f5efab8 win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython: CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython UPLOAD_PACKAGES: 'True' @@ -56,9 +64,19 @@ jobs: CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compiler_version11.2num_he8609bbd37 + win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_had44251dbf + win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython: + CONFIG: win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h89a25a1b56 + maxParallel: 15 timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ + UPLOAD_TEMP: D:\\tmp steps: - task: PythonScript@0 @@ -80,7 +98,7 @@ jobs: - script: | call activate base - mamba.exe install 'python=3.9' conda-build conda pip boa 'conda-forge-ci-setup=3' -c conda-forge --strict-channel-priority --yes + mamba.exe install "python=3.9" conda-build conda pip boa conda-forge-ci-setup=3 "py-lief<0.12" -c conda-forge --strict-channel-priority --yes displayName: Install conda-build - script: set PYTHONUNBUFFERED=1 @@ -144,6 +162,9 @@ jobs: - script: | set "GIT_BRANCH=%BUILD_SOURCEBRANCHNAME%" set "FEEDSTOCK_NAME=%BUILD_REPOSITORY_NAME:*/=%" + set "TEMP=$(UPLOAD_TEMP)" + if not exist "%TEMP%\" md "%TEMP%" + set "TMP=%TEMP%" call activate base upload_package --validate --feedstock-name="%FEEDSTOCK_NAME%" .\ ".\recipe" .ci_support\%CONFIG%.yaml displayName: Upload package diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml index 56f5e221..50000541 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml @@ -19,13 +19,13 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.1 numpy: -- '1.20' +- '1.23' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.11.* *_cpython target_platform: - linux-64 zip_keys: diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml index deaa56dc..03e8368a 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml @@ -19,13 +19,13 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.20' +- '1.23' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.11.* *_cpython target_platform: - linux-64 zip_keys: diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml index f01b4dce..1cc1b502 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml @@ -19,13 +19,13 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cos7-cuda:10.2 numpy: -- '1.20' +- '1.23' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.11.* *_cpython target_platform: - linux-64 zip_keys: diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml index c424c610..b1cff5c2 100644 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml @@ -19,13 +19,13 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.0 numpy: -- '1.20' +- '1.23' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.11.* *_cpython target_platform: - linux-64 zip_keys: diff --git a/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml index 779e9b7f..4509d4fe 100644 --- a/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '10' +- '11' cdt_arch: - aarch64 cdt_name: @@ -17,7 +17,7 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '10' +- '11' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: diff --git a/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml index 10e7e0f6..d2e7c170 100644 --- a/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '10' +- '11' cdt_arch: - aarch64 cdt_name: @@ -17,7 +17,7 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '10' +- '11' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: diff --git a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml index 121470de..e18779f2 100644 --- a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '10' +- '11' cdt_arch: - aarch64 cdt_name: @@ -17,7 +17,7 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '10' +- '11' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: diff --git a/.ci_support/linux_aarch64_numpy1.20python3.7.____cpython.yaml b/.ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml similarity index 93% rename from .ci_support/linux_aarch64_numpy1.20python3.7.____cpython.yaml rename to .ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml index 69223f2b..28b6d125 100644 --- a/.ci_support/linux_aarch64_numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '10' +- '11' cdt_arch: - aarch64 cdt_name: @@ -17,17 +17,17 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '10' +- '11' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.23' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.11.* *_cpython target_platform: - linux-aarch64 zip_keys: diff --git a/.ci_support/migrations/python311.yaml b/.ci_support/migrations/python311.yaml new file mode 100644 index 00000000..d23a0fd2 --- /dev/null +++ b/.ci_support/migrations/python311.yaml @@ -0,0 +1,37 @@ +migrator_ts: 1666686085 +__migrator: + migration_number: 1 + operation: key_add + primary_key: python + ordering: + python: + - 3.6.* *_cpython + - 3.7.* *_cpython + - 3.8.* *_cpython + - 3.9.* *_cpython + - 3.10.* *_cpython + - 3.11.* *_cpython # new entry + - 3.6.* *_73_pypy + - 3.7.* *_73_pypy + - 3.8.* *_73_pypy + - 3.9.* *_73_pypy + paused: false + longterm: True + pr_limit: 10 + max_solver_attempts: 10 # this will make the bot retry "not solvable" stuff 10 times + exclude: + # this shouldn't attempt to modify the python feedstocks + - python + - pypy3.6 + - pypy-meta + - cross-python + - python_abi + exclude_pinned_pkgs: false + +python: + - 3.11.* *_cpython +# additional entries to add for zip_keys +numpy: + - 1.23 +python_impl: + - cpython diff --git a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.7.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml similarity index 94% rename from .ci_support/osx_64_numpy1.20opencl_implapplepython3.7.____cpython.yaml rename to .ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index 2b026a3e..6ddb0d2f 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.7.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.23' opencl_impl: - apple pin_run_as_build: @@ -27,7 +27,7 @@ pin_run_as_build: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.11.* *_cpython target_platform: - osx-64 zip_keys: diff --git a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.7.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml similarity index 94% rename from .ci_support/osx_64_numpy1.20opencl_implkhronospython3.7.____cpython.yaml rename to .ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index 08567235..69a6b7ab 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.7.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.23' opencl_impl: - khronos pin_run_as_build: @@ -27,7 +27,7 @@ pin_run_as_build: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.11.* *_cpython target_platform: - osx-64 zip_keys: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml new file mode 100644 index 00000000..c41c171e --- /dev/null +++ b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -0,0 +1,35 @@ +MACOSX_DEPLOYMENT_TARGET: +- '11.0' +c_compiler: +- clang +c_compiler_version: +- '14' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '14' +macos_machine: +- arm64-apple-darwin20.0.0 +numpy: +- '1.23' +opencl_impl: +- apple +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- osx-arm64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml new file mode 100644 index 00000000..663e956e --- /dev/null +++ b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -0,0 +1,35 @@ +MACOSX_DEPLOYMENT_TARGET: +- '11.0' +c_compiler: +- clang +c_compiler_version: +- '14' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '14' +macos_machine: +- arm64-apple-darwin20.0.0 +numpy: +- '1.23' +opencl_impl: +- khronos +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- osx-arm64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml index 0fd920f0..f665d9a4 100644 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml @@ -11,13 +11,13 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.20' +- '1.21' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.10.* *_cpython target_platform: - win-64 zip_keys: diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml new file mode 100644 index 00000000..ad1e9ce4 --- /dev/null +++ b/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml @@ -0,0 +1,25 @@ +c_compiler: +- vs2019 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '10.2' +cxx_compiler: +- vs2019 +numpy: +- '1.23' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- win-64 +zip_keys: +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml index 52aa0d07..3831f1dd 100644 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml @@ -11,13 +11,13 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.20' +- '1.21' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.10.* *_cpython target_platform: - win-64 zip_keys: diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml new file mode 100644 index 00000000..d97ceaeb --- /dev/null +++ b/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml @@ -0,0 +1,25 @@ +c_compiler: +- vs2019 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.0' +cxx_compiler: +- vs2019 +numpy: +- '1.23' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- win-64 +zip_keys: +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml index 96ce0793..8779c0b6 100644 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml @@ -11,13 +11,13 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.20' +- '1.21' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.10.* *_cpython target_platform: - win-64 zip_keys: diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml new file mode 100644 index 00000000..9f280742 --- /dev/null +++ b/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml @@ -0,0 +1,25 @@ +c_compiler: +- vs2019 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.1' +cxx_compiler: +- vs2019 +numpy: +- '1.23' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- win-64 +zip_keys: +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml similarity index 91% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython.yaml rename to .ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml index 824e8d16..0569a77a 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython.yaml +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml @@ -11,13 +11,13 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.20' +- '1.21' pin_run_as_build: python: min_pin: x.x max_pin: x.x python: -- 3.7.* *_cpython +- 3.10.* *_cpython target_platform: - win-64 zip_keys: diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml new file mode 100644 index 00000000..97e9faba --- /dev/null +++ b/.ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml @@ -0,0 +1,25 @@ +c_compiler: +- vs2019 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- vs2019 +numpy: +- '1.23' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- win-64 +zip_keys: +- - python + - numpy diff --git a/.circleci/config.yml b/.circleci/config.yml index 3e61aa24..8b4ef2f9 100644 --- a/.circleci/config.yml +++ b/.circleci/config.yml @@ -1,6 +1,6 @@ # This file was generated automatically from conda-smithy. To update this configuration, # update the conda-forge.yml and/or the recipe/meta.yaml. -# -*- mode: yaml -*- +# -*- mode: jinja-yaml -*- version: 2 diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index a6b09f6b..84431a63 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -33,9 +33,9 @@ CONDARC mamba install --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 + conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" mamba update --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 + conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" # set up the condarc setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index 736a39a0..b3abaeb5 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -23,11 +23,10 @@ bash $MINIFORGE_FILE -b -p ${MINIFORGE_HOME} source ${MINIFORGE_HOME}/etc/profile.d/conda.sh conda activate base -echo -e "\n\nInstalling ['conda-forge-ci-setup=3'] and conda-build." mamba install --update-specs --quiet --yes --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 + conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" mamba update --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 + conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" diff --git a/README.md b/README.md index 30519e7c..f2332533 100644 --- a/README.md +++ b/README.md @@ -40,325 +40,367 @@ Current build status
VariantStatus
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____73_pypylinux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.7.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.8.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython - variant - -
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.19python3.9.____cpython - - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____73_pypy - - variant - -
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.7.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.8.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.19python3.9.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____73_pypylinux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.7.____cpythonlinux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.8.____cpythonlinux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython - variant - -
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.19python3.9.____cpython - - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____73_pypylinux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.7.____cpythonlinux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.8.____cpythonlinux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython - variant - -
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.19python3.9.____cpython - - variant + variant
linux_aarch64_numpy1.19python3.7.____73_pypylinux_aarch64_numpy1.20python3.7.____cpython - variant + variant
linux_aarch64_numpy1.19python3.7.____cpythonlinux_aarch64_numpy1.20python3.8.____cpython - variant + variant
linux_aarch64_numpy1.19python3.8.____cpythonlinux_aarch64_numpy1.20python3.9.____cpython - variant - -
linux_aarch64_numpy1.19python3.9.____cpython - - variant + variant
osx_64_numpy1.19opencl_implapplepython3.7.____73_pypy - - variant - -
osx_64_numpy1.19opencl_implapplepython3.7.____cpython - - variant - -
osx_64_numpy1.19opencl_implapplepython3.8.____cpythonosx_64_numpy1.20opencl_implapplepython3.7.____cpython - variant + variant
osx_64_numpy1.19opencl_implapplepython3.9.____cpythonosx_64_numpy1.20opencl_implapplepython3.8.____cpython - variant + variant
osx_64_numpy1.19opencl_implkhronospython3.7.____73_pypyosx_64_numpy1.20opencl_implapplepython3.9.____cpython - variant + variant
osx_64_numpy1.19opencl_implkhronospython3.7.____cpythonosx_64_numpy1.20opencl_implkhronospython3.7.____cpython - variant + variant
osx_64_numpy1.19opencl_implkhronospython3.8.____cpythonosx_64_numpy1.20opencl_implkhronospython3.8.____cpython - variant + variant
osx_64_numpy1.19opencl_implkhronospython3.9.____cpythonosx_64_numpy1.20opencl_implkhronospython3.9.____cpython - variant + variant
osx_arm64_numpy1.19opencl_implapplepython3.8.____cpythonosx_arm64_numpy1.20opencl_implapplepython3.8.____cpython - variant + variant
osx_arm64_numpy1.19opencl_implapplepython3.9.____cpythonosx_arm64_numpy1.20opencl_implapplepython3.9.____cpython - variant + variant
osx_arm64_numpy1.19opencl_implkhronospython3.8.____cpythonosx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython - variant + variant
osx_arm64_numpy1.19opencl_implkhronospython3.9.____cpythonosx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython - variant + variant
win_64_cuda_compiler_version10.2numpy1.19python3.7.____cpythonwin_64_cuda_compiler_version10.2numpy1.20python3.7.____cpython - variant + variant
win_64_cuda_compiler_version10.2numpy1.19python3.8.____cpythonwin_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython - variant + variant
win_64_cuda_compiler_version10.2numpy1.19python3.9.____cpythonwin_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.19python3.7.____cpythonwin_64_cuda_compiler_version11.0numpy1.20python3.7.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.19python3.8.____cpythonwin_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.19python3.9.____cpythonwin_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.19python3.7.____cpythonwin_64_cuda_compiler_version11.1numpy1.20python3.7.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.19python3.8.____cpythonwin_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.19python3.9.____cpythonwin_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython - variant + variant
win_64_cuda_compiler_version11.2numpy1.19python3.7.____cpythonwin_64_cuda_compiler_version11.2numpy1.20python3.7.____cpython - variant + variant
win_64_cuda_compiler_version11.2numpy1.19python3.8.____cpythonwin_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.2numpy1.19python3.9.____cpythonwin_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython - variant + variant
- - - - + - + - + - + - + - + - + - + - + - + + + + - + + + + + + + - + + + + - + + + + - + + + + + + + diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 072a8177..c9ea6a41 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} -{% set version = "8.0.0beta" %} -{% set build = 2 %} +{% set version = "8.0.0rc1" %} +{% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,14 +10,14 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "cf82438" + git_rev: "4c2f332" build: number: {{ build }} string: "py{{ PY_VER.replace('.', '') }}h{{ PKG_HASH }}_{{ build }}_{{ opencl_impl }}" # [osx] track_features: # make Apple OpenCL low priority - openmm_opencl_apple # [osx and (opencl_impl == 'apple')] - skip: true # [(win and py==310) or (cuda_compiler_version in (undefined, 'None') and (linux64 or win)) or ((cuda_compiler_version != '10.2') and (ppc64le))] + skip: true # [(cuda_compiler_version in (undefined, 'None') and (linux64 or win)) or ((cuda_compiler_version != '10.2') and (ppc64le))] script_env: - CONFIG - CUDA_HOME # [ppc64le] From 104d3e6e404016834316608cee85b64da2575646 Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Tue, 17 Jan 2023 09:10:33 -0800 Subject: [PATCH 13/23] Updated revision for release candidate (#98) --- recipe/meta.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index c9ea6a41..3c0d165a 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} {% set version = "8.0.0rc1" %} -{% set build = 0 %} +{% set build = 1 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "4c2f332" + git_rev: "e1c4e1f" build: number: {{ build }} From 04a2f4cc21566b17daff292daad34afa272574cd Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Fri, 20 Jan 2023 16:11:02 -0800 Subject: [PATCH 14/23] Second release candidate of 8.0 (#99) --- recipe/meta.yaml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 3c0d165a..2ef1e367 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} -{% set version = "8.0.0rc1" %} -{% set build = 1 %} +{% set version = "8.0.0rc2" %} +{% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "e1c4e1f" + git_rev: "a780005" build: number: {{ build }} From 8c007e5cd987c99b588530e6b16fb83dae6d8bc1 Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Fri, 6 Oct 2023 09:34:38 -0700 Subject: [PATCH 15/23] Build 8.1 beta (#111) * [ci skip] [skip ci] [cf admin skip] ***NO_CI*** admin migration CondaForgeAutomergeUpdate * [ci skip] [skip ci] [cf admin skip] ***NO_CI*** admin migration DotConda * Build 8.0.0 release (#100) * Build 8.0 beta * MNT: Re-rendered with conda-build 3.21.9, conda-smithy 3.21.0, and conda-forge-pinning 2022.07.06.01.52.02 * Use newer glibc * Updated linux version * MNT: Re-rendered with conda-build 3.21.9, conda-smithy 3.21.0, and conda-forge-pinning 2022.07.06.01.52.02 * Updated beta for 8.0 * MNT: Re-rendered with conda-build 3.22.0, conda-smithy 3.21.1, and conda-forge-pinning 2022.09.13.19.09.01 * Try not packaging tests * Updated beta for 8.0 * [ci skip] [skip ci] [cf admin skip] ***NO_CI*** admin migration CondaForgeAutomergeUpdate * [ci skip] [skip ci] [cf admin skip] ***NO_CI*** admin migration DotConda * Release candidate for 8.0 (#95) * Release candidate for 8.0 * MNT: Re-rendered with conda-build 3.23.3, conda-smithy 3.22.1, and conda-forge-pinning 2023.01.07.12.45.19 * python 3.11 migration Co-authored-by: conda-forge-webservices[bot] <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> * Updated revision for release candidate (#98) * Second release candidate of 8.0 (#99) * Build 8.0.0 release * MNT: Re-rendered with conda-build 3.23.3, conda-smithy 3.22.1, and conda-forge-pinning 2023.01.26.16.59.55 * Removed inappropriate checks for github release * Removed checks that require a GPU * Remove more tests that prevent builds from completing * Another attempt at trying to make it happy with the batch file syntax --------- Co-authored-by: conda-forge-webservices[bot] <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Co-authored-by: conda-forge-curator[bot] <79913779+conda-forge-curator[bot]@users.noreply.github.com> Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> * Trigger CI * Rebuild for cuda for ppc64le and aarch64 * MNT: Re-rendered with conda-build 3.24.0, conda-smithy 3.23.1, and conda-forge-pinning 2023.04.14.07.22.14 * Update conda-forge.yml * MNT: Re-rendered with conda-build 3.24.0, conda-smithy 3.23.1, and conda-forge-pinning 2023.04.23.10.35.24 * Rebuild for CUDA 12 w/arch support (#108) * Rebuild for CUDA 12 * MNT: Re-rendered with conda-build 3.25.0, conda-smithy 3.23.1, and conda-forge-pinning 2023.05.31.22.15.24 * See if this fixes the missing target CMake Error at platforms/cuda/sharedTarget/CMakeLists.txt:16 (TARGET_LINK_LIBRARIES): Target "OpenMMCUDA" links to: CUDA::cufft but the target was not found. Possible reasons include: * I think I need to only add this to cuda 12 builds * Add missing header file * Update recipe/meta.yaml Co-authored-by: jakirkham * Add `cuda_compiler_version or ""` workaround * added cuda-nvrtc-dev as dep * added cuda-driver-dev * moved some deps into host * add cuda-driver-dev as a testing dep * move dep outside of if block * Update recipe/meta.yaml Co-authored-by: jakirkham * MNT: Re-rendered with conda-build 3.25.0, conda-smithy 3.24.1, and conda-forge-pinning 2023.07.25.19.20.13 * added cuda-compat * Rebuild for CUDA 12 w/arch support The transition to CUDA 12 SDK includes new packages for all CUDA libraries and build tools. Notably, the cudatoolkit package no longer exists, and packages should depend directly on the specific CUDA libraries (libcublas, libcusolver, etc) as needed. For an in-depth overview of the changes and to report problems [see this issue]( https://github.com/conda-forge/conda-forge.github.io/issues/1963 ). Please feel free to raise any issues encountered there. Thank you! :pray: * MNT: Re-rendered with conda-build 3.26.1, conda-smithy 3.24.1, and conda-forge-pinning 2023.08.24.17.10.00 * push cuda12 build to dev channel * MNT: Re-rendered with conda-build 3.25.0, conda-smithy 3.25.1, and conda-forge-pinning 2023.09.05.13.39.24 * sync conda-forge.yml with dev * skip test * made a mistake and was going to push this onto dev * MNT: Re-rendered with conda-build 3.25.0, conda-smithy 3.26.2, and conda-forge-pinning 2023.09.22.17.00.20 --------- Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Co-authored-by: jakirkham Co-authored-by: jaimergp * Rebuild for PyPy3.9 (#110) * Rebuild for PyPy3.9 * MNT: Re-rendered with conda-build 3.26.1, conda-smithy 3.26.2, and conda-forge-pinning 2023.09.26.23.22.17 * MNT: Re-rendered with conda-build 3.25.0, conda-smithy 3.26.3, and conda-forge-pinning 2023.09.27.16.11.26 * remove python version pin from run_constrained for windows python 3.9 builds --------- Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> * Build 8.1 beta * MNT: Re-rendered with conda-build 3.27.0, conda-smithy 3.26.3, and conda-forge-pinning 2023.10.02.17.25.16 * MNT: Re-rendered with conda-build 3.27.0, conda-smithy 3.26.3, and conda-forge-pinning 2023.10.04.19.29.41 * Add setuptools as host dependency * Remove checks for CUDA compiler plugin --------- Co-authored-by: conda-forge-curator[bot] <79913779+conda-forge-curator[bot]@users.noreply.github.com> Co-authored-by: conda-forge-webservices[bot] <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Co-authored-by: regro-cf-autotick-bot <36490558+regro-cf-autotick-bot@users.noreply.github.com> Co-authored-by: jaimergp Co-authored-by: jakirkham --- .azure-pipelines/azure-pipelines-linux.yml | 207 +++++++++------- .azure-pipelines/azure-pipelines-osx.yml | 81 ++++--- .azure-pipelines/azure-pipelines-win.yml | 136 +++-------- ...rsion10numpy1.20python3.8.____cpython.yaml | 38 --- ...sion10numpy1.21python3.10.____cpython.yaml | 38 --- ...sion10numpy1.23python3.11.____cpython.yaml | 38 --- ...ion10numpy1.22python3.10.____cpython.yaml} | 3 +- ...sion10numpy1.22python3.8.____cpython.yaml} | 3 +- ...rsion10numpy1.22python3.9.____73_pypy.yaml | 39 +++ ...sion10numpy1.22python3.9.____cpython.yaml} | 3 +- ...ion10numpy1.23python3.11.____cpython.yaml} | 1 + ...ion12numpy1.22python3.10.____cpython.yaml} | 13 +- ...sion12numpy1.22python3.8.____cpython.yaml} | 13 +- ...rsion12numpy1.22python3.9.____73_pypy.yaml | 39 +++ ...sion12numpy1.22python3.9.____cpython.yaml} | 13 +- ...ion12numpy1.23python3.11.____cpython.yaml} | 11 +- ...ersion7numpy1.20python3.9.____cpython.yaml | 38 --- ...ersion9numpy1.20python3.8.____cpython.yaml | 38 --- ...ersion9numpy1.20python3.9.____cpython.yaml | 38 --- ...rsion9numpy1.21python3.10.____cpython.yaml | 38 --- ...rsion9numpy1.23python3.11.____cpython.yaml | 38 --- ...sion10numpy1.22python3.10.____cpython.yaml | 40 +++ ...rsion10numpy1.22python3.8.____cpython.yaml | 40 +++ ...rsion10numpy1.22python3.9.____73_pypy.yaml | 40 +++ ...rsion10numpy1.22python3.9.____cpython.yaml | 40 +++ ...sion10numpy1.23python3.11.____cpython.yaml | 40 +++ ...sion12numpy1.22python3.10.____cpython.yaml | 40 +++ ...rsion12numpy1.22python3.8.____cpython.yaml | 40 +++ ...rsion12numpy1.22python3.9.____73_pypy.yaml | 40 +++ ...rsion12numpy1.22python3.9.____cpython.yaml | 40 +++ ...sion12numpy1.23python3.11.____cpython.yaml | 40 +++ ...ion12numpy1.22python3.10.____cpython.yaml} | 6 +- ...sion12numpy1.22python3.8.____cpython.yaml} | 6 +- ...rsion12numpy1.22python3.9.____73_pypy.yaml | 40 +++ ...sion12numpy1.22python3.9.____cpython.yaml} | 6 +- ...ion12numpy1.23python3.11.____cpython.yaml} | 4 +- .ci_support/migrations/cuda120.yaml | 90 +++++++ .../{python311.yaml => pypy38.yaml} | 26 +- ...encl_implapplepython3.10.____cpython.yaml} | 6 +- ...pencl_implapplepython3.8.____cpython.yaml} | 6 +- ...opencl_implapplepython3.9.____73_pypy.yaml | 37 +++ ...pencl_implapplepython3.9.____cpython.yaml} | 6 +- ...cl_implkhronospython3.10.____cpython.yaml} | 6 +- ...ncl_implkhronospython3.8.____cpython.yaml} | 6 +- ...encl_implkhronospython3.9.____73_pypy.yaml | 37 +++ ...ncl_implkhronospython3.9.____cpython.yaml} | 6 +- ...pencl_implapplepython3.11.____cpython.yaml | 4 +- ...ncl_implkhronospython3.11.____cpython.yaml | 4 +- ...encl_implapplepython3.10.____cpython.yaml} | 6 +- ...pencl_implapplepython3.8.____cpython.yaml} | 6 +- ...pencl_implapplepython3.9.____cpython.yaml} | 6 +- ...cl_implkhronospython3.10.____cpython.yaml} | 6 +- ...ncl_implkhronospython3.8.____cpython.yaml} | 6 +- ...ncl_implkhronospython3.9.____cpython.yaml} | 6 +- ...pencl_implapplepython3.11.____cpython.yaml | 4 +- ...ncl_implkhronospython3.11.____cpython.yaml | 4 +- ...ion10.2numpy1.20python3.8.____cpython.yaml | 25 -- ...ion10.2numpy1.20python3.9.____cpython.yaml | 25 -- ...on10.2numpy1.21python3.10.____cpython.yaml | 25 -- ...on10.2numpy1.23python3.11.____cpython.yaml | 25 -- ...ion11.0numpy1.20python3.8.____cpython.yaml | 25 -- ...ion11.0numpy1.20python3.9.____cpython.yaml | 25 -- ...on11.0numpy1.21python3.10.____cpython.yaml | 25 -- ...on11.0numpy1.23python3.11.____cpython.yaml | 25 -- ...ion11.1numpy1.20python3.8.____cpython.yaml | 25 -- ...ion11.1numpy1.20python3.9.____cpython.yaml | 25 -- ...on11.1numpy1.21python3.10.____cpython.yaml | 25 -- ...on11.1numpy1.23python3.11.____cpython.yaml | 25 -- ...n11.2numpy1.22python3.10.____cpython.yaml} | 4 +- ...on11.2numpy1.22python3.8.____cpython.yaml} | 4 +- ...ion11.2numpy1.22python3.9.____73_pypy.yaml | 27 +++ ...on11.2numpy1.22python3.9.____cpython.yaml} | 4 +- ...n11.2numpy1.23python3.11.____cpython.yaml} | 2 + .scripts/build_steps.sh | 9 +- .scripts/create_conda_build_artifacts.bat | 8 +- .scripts/create_conda_build_artifacts.sh | 8 +- .scripts/logging_utils.sh | 4 +- .scripts/run_osx_build.sh | 18 +- .scripts/run_win_build.bat | 115 +++++++++ README.md | 228 ++++++++---------- conda-forge.yml | 13 +- recipe/conda_build_config.yaml | 2 +- recipe/meta.yaml | 13 +- recipe/test_openmm.bat | 11 +- recipe/test_openmm.sh | 6 +- 85 files changed, 1284 insertions(+), 1098 deletions(-) delete mode 100644 .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml delete mode 100644 .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml delete mode 100644 .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml rename .ci_support/{linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml => 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win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml} (88%) create mode 100755 .scripts/run_win_build.bat diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index c320fe42..051fcecd 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -8,115 +8,156 @@ jobs: vmImage: ubuntu-latest strategy: matrix: - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h5389ee5683 - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h658f2fae0e + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h54a0bf5910 + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hd34afad97c + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hdcdd9171d3 + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h580b7334a4 + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_h83196aa1eb + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_h820833f12a + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hb57a129962 - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_ha2a137a998 + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h2751d9faff - linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_h5a261b38fb + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.1 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hf3102243de - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_hd008acaf9d + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc644ec66fe - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h99b22bcb8e + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h2a2c77454b - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_hc5c82bfe02 + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h0dbcfba145 - linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython: - CONFIG: linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h70456e18bd + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 - SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h53d7830257 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_hcab811f76d - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h8f3a96c83b - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h172a199072 - linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython: - CONFIG: linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-cuda:10.2 - SHORT_CONFIG: linux_64_c_compiler_version7cuda_co_h7c05346da3 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h50358cd8d8 - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_hd5c4d83b9a - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h97cf3b29ee - linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython: - CONFIG: linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.0 - SHORT_CONFIG: linux_64_c_compiler_version9cuda_co_h3cb1e222e6 - linux_aarch64_numpy1.20python3.8.____cpython: - CONFIG: linux_aarch64_numpy1.20python3.8.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h968d4f0b44 + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_hd562e86a91 + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h5dcedd48b2 + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h48f5378d61 + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hef72d13c4d + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.20python3.8.____cpython - linux_aarch64_numpy1.20python3.9.____cpython: - CONFIG: linux_aarch64_numpy1.20python3.9.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hb21beff7ef + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.20python3.9.____cpython - linux_aarch64_numpy1.21python3.10.____cpython: - CONFIG: linux_aarch64_numpy1.21python3.10.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h0e2e042b5f + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.21python3.10.____cpython - linux_aarch64_numpy1.23python3.11.____cpython: - CONFIG: linux_aarch64_numpy1.23python3.11.____cpython + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h52126a5a3d + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 - SHORT_CONFIG: linux_aarch64_numpy1.23python3.11.____cpython - maxParallel: 19 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hb546d53ab8 + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h3e68912615 + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h873f4d6025 + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hd95d8cc773 timeoutInMinutes: 360 steps: - script: | - rm -rf /opt/ghc + sudo mkdir -p /opt/empty_dir || true + for d in \ + /opt/ghc \ + /opt/hostedtoolcache \ + /usr/lib/jvm \ + /usr/local/.ghcup \ + /usr/local/lib/android \ + /usr/local/share/powershell \ + /usr/share/dotnet \ + /usr/share/swift \ + ; do + sudo rsync --stats -a --delete /opt/empty_dir/ $d || true + done + sudo apt-get purge -y -f firefox \ + google-chrome-stable \ + microsoft-edge-stable + sudo apt-get autoremove -y >& /dev/null + sudo apt-get autoclean -y >& /dev/null + sudo docker image prune --all --force df -h displayName: Manage disk space - # configure qemu binfmt-misc running. This allows us to run docker containers # embedded qemu-static - script: | diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index 5ff0fc6d..055b7192 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -8,30 +8,38 @@ jobs: vmImage: macOS-11 strategy: matrix: - osx_64_numpy1.20opencl_implapplepython3.8.____cpython: - CONFIG: osx_64_numpy1.20opencl_implapplepython3.8.____cpython + osx_64_numpy1.22opencl_implapplepython3.10.____cpython: + CONFIG: osx_64_numpy1.22opencl_implapplepython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_hb7e1ab75ca - osx_64_numpy1.20opencl_implapplepython3.9.____cpython: - CONFIG: osx_64_numpy1.20opencl_implapplepython3.9.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implapplepyt_h0f956ba837 + osx_64_numpy1.22opencl_implapplepython3.8.____cpython: + CONFIG: osx_64_numpy1.22opencl_implapplepython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implapplepyt_h9b669d72c4 - osx_64_numpy1.20opencl_implkhronospython3.8.____cpython: - CONFIG: osx_64_numpy1.20opencl_implkhronospython3.8.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implapplepyt_h20e0aa4206 + osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy: + CONFIG: osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implkhronosp_ha23011d7b3 - osx_64_numpy1.20opencl_implkhronospython3.9.____cpython: - CONFIG: osx_64_numpy1.20opencl_implkhronospython3.9.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implapplepyt_ha41379a729 + osx_64_numpy1.22opencl_implapplepython3.9.____cpython: + CONFIG: osx_64_numpy1.22opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.20opencl_implkhronosp_hdda32f648c - osx_64_numpy1.21opencl_implapplepython3.10.____cpython: - CONFIG: osx_64_numpy1.21opencl_implapplepython3.10.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implapplepyt_h5dd8afa882 + osx_64_numpy1.22opencl_implkhronospython3.10.____cpython: + CONFIG: osx_64_numpy1.22opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.21opencl_implapplepyt_hec2dc01049 - osx_64_numpy1.21opencl_implkhronospython3.10.____cpython: - CONFIG: osx_64_numpy1.21opencl_implkhronospython3.10.____cpython + SHORT_CONFIG: osx_64_numpy1.22opencl_implkhronosp_h444b95cfd3 + osx_64_numpy1.22opencl_implkhronospython3.8.____cpython: + CONFIG: osx_64_numpy1.22opencl_implkhronospython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_64_numpy1.21opencl_implkhronosp_h0bc6add440 + SHORT_CONFIG: osx_64_numpy1.22opencl_implkhronosp_hed4c351a82 + osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy: + CONFIG: osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.22opencl_implkhronosp_h979267211e + osx_64_numpy1.22opencl_implkhronospython3.9.____cpython: + CONFIG: osx_64_numpy1.22opencl_implkhronospython3.9.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.22opencl_implkhronosp_he95451b8a1 osx_64_numpy1.23opencl_implapplepython3.11.____cpython: CONFIG: osx_64_numpy1.23opencl_implapplepython3.11.____cpython UPLOAD_PACKAGES: 'True' @@ -40,30 +48,30 @@ jobs: CONFIG: osx_64_numpy1.23opencl_implkhronospython3.11.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.23opencl_implkhronosp_h1b3f6d8cac - osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython: - CONFIG: osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython + osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.20opencl_implapple_hb56b02eb8e - osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython: - CONFIG: osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implapple_h486dba8573 + osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.20opencl_implapple_he4f7fd527f - osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython: - CONFIG: osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implapple_h5987b31d88 + osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.20opencl_implkhron_hea1d3745fe - osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython: - CONFIG: osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implapple_hbb02a0fadd + osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.20opencl_implkhron_hbaca95ab19 - osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython: - CONFIG: osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implkhron_h9f96414b2f + osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.21opencl_implapple_h0fc8446d3b - osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython: - CONFIG: osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implkhron_hdb80c5cafd + osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython: + CONFIG: osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: osx_arm64_numpy1.21opencl_implkhron_h1b495945d9 + SHORT_CONFIG: osx_arm64_numpy1.22opencl_implkhron_h4b805475b5 osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython: CONFIG: osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython UPLOAD_PACKAGES: 'True' @@ -72,7 +80,6 @@ jobs: CONFIG: osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_arm64_numpy1.23opencl_implkhron_h95b3c2c1e1 - maxParallel: 15 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index 86677cdd..a8d53680 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -5,80 +5,36 @@ jobs: - job: win pool: - vmImage: windows-2019 + vmImage: windows-2022 strategy: matrix: - win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h5ce4fb4684 - win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_hf70b5c66bb + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h7476aa8f61 - win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_he77ef43bcd + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_head2835e54 - win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h7849157c63 + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version10.2num_h1c766b7670 - win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h042162825e + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h0f42e2a2d0 - win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_hd1d44fb2a7 - win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_ha8f0746982 - win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.0num_h96d9073a2b - win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hf101515db1 - win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hd7568089ff - win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_h2752598360 - win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.1num_hf30f5efab8 - win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_hfb470cab27 - win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_he8609bbd37 - win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_had44251dbf - win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython: - CONFIG: win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython - UPLOAD_PACKAGES: 'True' - SHORT_CONFIG: win_64_cuda_compiler_version11.2num_h89a25a1b56 - maxParallel: 15 + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h275b1247ec timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ UPLOAD_TEMP: D:\\tmp steps: + - task: PythonScript@0 displayName: 'Download Miniforge' inputs: @@ -97,35 +53,17 @@ jobs: displayName: Add conda to PATH - script: | - call activate base - mamba.exe install "python=3.9" conda-build conda pip boa conda-forge-ci-setup=3 "py-lief<0.12" -c conda-forge --strict-channel-priority --yes - displayName: Install conda-build - - - script: set PYTHONUNBUFFERED=1 - displayName: Set PYTHONUNBUFFERED - - # Configure the VM - - script: | - call activate base - setup_conda_rc .\ ".\recipe" .\.ci_support\%CONFIG%.yaml - displayName: conda-forge CI setup - - # Configure the VM. - - script: | - set "CI=azure" - call activate base - run_conda_forge_build_setup - displayName: conda-forge build setup - - - script: | - call activate base - if EXIST LICENSE.txt ( - copy LICENSE.txt "recipe\\recipe-scripts-license.txt" - ) - conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables - displayName: Build recipe + call ".scripts\run_win_build.bat" + displayName: Run Windows build env: PYTHONUNBUFFERED: 1 + CONFIG: $(CONFIG) + CI: azure + UPLOAD_PACKAGES: $(UPLOAD_PACKAGES) + UPLOAD_TEMP: $(UPLOAD_TEMP) + BINSTAR_TOKEN: $(BINSTAR_TOKEN) + FEEDSTOCK_TOKEN: $(FEEDSTOCK_TOKEN) + STAGING_BINSTAR_TOKEN: $(STAGING_BINSTAR_TOKEN) - script: | set CI=azure set CI_RUN_ID=$(build.BuildNumber).$(system.JobAttempt) @@ -152,24 +90,4 @@ jobs: condition: not(eq(variables.ENV_ARTIFACT_PATH, '')) inputs: targetPath: $(ENV_ARTIFACT_PATH) - artifactName: $(ENV_ARTIFACT_NAME) - - script: | - set "FEEDSTOCK_NAME=%BUILD_REPOSITORY_NAME:*/=%" - call activate base - validate_recipe_outputs "%FEEDSTOCK_NAME%" - displayName: Validate Recipe Outputs - - - script: | - set "GIT_BRANCH=%BUILD_SOURCEBRANCHNAME%" - set "FEEDSTOCK_NAME=%BUILD_REPOSITORY_NAME:*/=%" - set "TEMP=$(UPLOAD_TEMP)" - if not exist "%TEMP%\" md "%TEMP%" - set "TMP=%TEMP%" - call activate base - upload_package --validate --feedstock-name="%FEEDSTOCK_NAME%" .\ ".\recipe" .ci_support\%CONFIG%.yaml - displayName: Upload package - env: - BINSTAR_TOKEN: $(BINSTAR_TOKEN) - FEEDSTOCK_TOKEN: $(FEEDSTOCK_TOKEN) - STAGING_BINSTAR_TOKEN: $(STAGING_BINSTAR_TOKEN) - condition: and(succeeded(), not(eq(variables['UPLOAD_PACKAGES'], 'False')), not(eq(variables['Build.Reason'], 'PullRequest'))) \ No newline at end of file + artifactName: $(ENV_ARTIFACT_NAME) \ No newline at end of file diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index 5fec8569..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index 8fc3a74f..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index 50000541..00000000 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '10' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- gxx -cxx_compiler_version: -- '10' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml index 839b09d4..4651e255 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.21' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml index 55773940..656c92ff 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..44ec1bb2 --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,39 @@ +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml similarity index 95% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml index 301ad65a..13645f44 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml @@ -19,7 +19,7 @@ cxx_compiler_version: docker_image: - quay.io/condaforge/linux-anvil-cuda:11.2 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml similarity index 96% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml index 03e8368a..2a44532d 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml similarity index 81% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml index 106c2643..29760b4d 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '7' +- '12' cdt_name: - cos7 channel_sources: @@ -9,17 +9,17 @@ channel_sources: channel_targets: - conda-forge openmm_rc cuda_compiler: -- nvcc +- cuda-nvcc cuda_compiler_version: -- '10.2' +- '12.0' cxx_compiler: - gxx cxx_compiler_version: -- '7' +- '12' docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.21' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml similarity index 81% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 778d300e..274d64a7 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '7' +- '12' cdt_name: - cos7 channel_sources: @@ -9,17 +9,17 @@ channel_sources: channel_targets: - conda-forge openmm_rc cuda_compiler: -- nvcc +- cuda-nvcc cuda_compiler_version: -- '10.2' +- '12.0' cxx_compiler: - gxx cxx_compiler_version: -- '7' +- '12' docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..e16f9237 --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,39 @@ +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- cuda-nvcc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml similarity index 81% rename from .ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml index 9928781d..f812a967 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '10' +- '12' cdt_name: - cos7 channel_sources: @@ -9,17 +9,17 @@ channel_sources: channel_targets: - conda-forge openmm_rc cuda_compiler: -- nvcc +- cuda-nvcc cuda_compiler_version: -- '11.1' +- '12.0' cxx_compiler: - gxx cxx_compiler_version: -- '10' +- '12' docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.1 +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml similarity index 83% rename from .ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml index 1cc1b502..f9dbe97b 100644 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -1,7 +1,7 @@ c_compiler: - gcc c_compiler_version: -- '7' +- '12' cdt_name: - cos7 channel_sources: @@ -9,15 +9,15 @@ channel_sources: channel_targets: - conda-forge openmm_rc cuda_compiler: -- nvcc +- cuda-nvcc cuda_compiler_version: -- '10.2' +- '12.0' cxx_compiler: - gxx cxx_compiler_version: -- '7' +- '12' docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 +- quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: - '1.23' pin_run_as_build: @@ -31,6 +31,7 @@ target_platform: zip_keys: - - c_compiler_version - cxx_compiler_version + - cuda_compiler - cuda_compiler_version - cdt_name - docker_image diff --git a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index 449029d3..00000000 --- a/.ci_support/linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '7' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- gxx -cxx_compiler_version: -- '7' -docker_image: -- quay.io/condaforge/linux-anvil-cos7-cuda:10.2 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index 24eb4bcd..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index 1dcac203..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index 95244d4d..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index b1cff5c2..00000000 --- a/.ci_support/linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,38 +0,0 @@ -c_compiler: -- gcc -c_compiler_version: -- '9' -cdt_name: -- cos7 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- gxx -cxx_compiler_version: -- '9' -docker_image: -- quay.io/condaforge/linux-anvil-cuda:11.0 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- linux-64 -zip_keys: -- - c_compiler_version - - cxx_compiler_version - - cuda_compiler_version - - cdt_name - - docker_image -- - python - - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml new file mode 100644 index 00000000..b558cd86 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.10.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml new file mode 100644 index 00000000..4a84f34f --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.8.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..2bc3e639 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml new file mode 100644 index 00000000..d25d20bb --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml new file mode 100644 index 00000000..4645032f --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.23' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml new file mode 100644 index 00000000..e826adc4 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.10.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml new file mode 100644 index 00000000..90b94a77 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.8.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..0624ec48 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml new file mode 100644 index 00000000..cb024cc9 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml new file mode 100644 index 00000000..87e73ccd --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.23' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.11.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml similarity index 96% rename from .ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml rename to .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml index e18779f2..9de154b8 100644 --- a/.ci_support/linux_aarch64_numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '11' +- '12' cdt_arch: - aarch64 cdt_name: @@ -17,11 +17,11 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '11' +- '12' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.21' +- '1.22' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml similarity index 96% rename from .ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml rename to .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 4509d4fe..6eafadcb 100644 --- a/.ci_support/linux_aarch64_numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '11' +- '12' cdt_arch: - aarch64 cdt_name: @@ -17,11 +17,11 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '11' +- '12' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..cb1c2bf9 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml similarity index 96% rename from .ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml rename to .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml index d2e7c170..9ac4b2be 100644 --- a/.ci_support/linux_aarch64_numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '11' +- '12' cdt_arch: - aarch64 cdt_name: @@ -17,11 +17,11 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '11' +- '12' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x diff --git a/.ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml similarity index 97% rename from .ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml rename to .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml index 28b6d125..51556488 100644 --- a/.ci_support/linux_aarch64_numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -3,7 +3,7 @@ BUILD: c_compiler: - gcc c_compiler_version: -- '11' +- '12' cdt_arch: - aarch64 cdt_name: @@ -17,7 +17,7 @@ cuda_compiler_version: cxx_compiler: - gxx cxx_compiler_version: -- '11' +- '12' docker_image: - quay.io/condaforge/linux-anvil-cos7-x86_64 numpy: diff --git a/.ci_support/migrations/cuda120.yaml b/.ci_support/migrations/cuda120.yaml new file mode 100644 index 00000000..49da33d7 --- /dev/null +++ b/.ci_support/migrations/cuda120.yaml @@ -0,0 +1,90 @@ +migrator_ts: 1682985063 +__migrator: + kind: + version + migration_number: + 2 + build_number: + 1 + paused: false + override_cbc_keys: + - cuda_compiler_stub + operation: key_add + check_solvable: false + primary_key: cuda_compiler_version + ordering: + cxx_compiler_version: + - 9 + - 8 + - 7 + c_compiler_version: + - 9 + - 8 + - 7 + fortran_compiler_version: + - 9 + - 8 + - 7 + docker_image: + - quay.io/condaforge/linux-anvil-comp7 # [os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-aarch64 # [os.environ.get("BUILD_PLATFORM") == "linux-aarch64"] + - quay.io/condaforge/linux-anvil-ppc64le # [os.environ.get("BUILD_PLATFORM") == "linux-ppc64le"] + - quay.io/condaforge/linux-anvil-armv7l # [os.environ.get("BUILD_PLATFORM") == "linux-armv7l"] + - quay.io/condaforge/linux-anvil-cuda:9.2 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cuda:10.0 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cuda:10.1 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cuda:10.2 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cuda:11.0 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cuda:11.1 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cuda:11.2 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + # case: native compilation (build == target) + - quay.io/condaforge/linux-anvil-ppc64le-cuda:11.2 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-ppc64le"] + - quay.io/condaforge/linux-anvil-aarch64-cuda:11.2 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-aarch64"] + # case: cross-compilation (build != target) + - quay.io/condaforge/linux-anvil-cuda:11.2 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cuda:11.2 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + # case: non-CUDA builds + - quay.io/condaforge/linux-anvil-cos7-x86_64 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] + cuda_compiler_version: + - None + - 10.2 # [(linux64 or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 11.0 # [(linux64 or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 11.1 # [(linux64 or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 11.2 # [(linux or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12.0 # [(linux or win) and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + commit_message: | + Rebuild for CUDA 12 w/arch support + + The transition to CUDA 12 SDK includes new packages for all CUDA libraries and + build tools. Notably, the cudatoolkit package no longer exists, and packages + should depend directly on the specific CUDA libraries (libcublas, libcusolver, + etc) as needed. For an in-depth overview of the changes and to report problems + [see this issue]( https://github.com/conda-forge/conda-forge.github.io/issues/1963 ). + Please feel free to raise any issues encountered there. Thank you! :pray: + +cuda_compiler: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - cuda-nvcc # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +cuda_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12.0 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +c_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +cxx_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +fortran_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - 12 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +cdt_name: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - cos7 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + +docker_image: # [os.environ.get("BUILD_PLATFORM", "").startswith("linux-") and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + - quay.io/condaforge/linux-anvil-cos7-x86_64 # [linux64 and os.environ.get("BUILD_PLATFORM") == "linux-64" and os.environ.get("CF_CUDA_ENABLED", "False") == "True"] + # case: native compilation (build == target) + - quay.io/condaforge/linux-anvil-ppc64le # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-ppc64le"] + - quay.io/condaforge/linux-anvil-aarch64 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-aarch64"] + # case: cross-compilation (build != target) + - quay.io/condaforge/linux-anvil-cos7-x86_64 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-64"] + - quay.io/condaforge/linux-anvil-cos7-x86_64 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-64"] diff --git a/.ci_support/migrations/python311.yaml b/.ci_support/migrations/pypy38.yaml similarity index 55% rename from .ci_support/migrations/python311.yaml rename to .ci_support/migrations/pypy38.yaml index d23a0fd2..065dae61 100644 --- a/.ci_support/migrations/python311.yaml +++ b/.ci_support/migrations/pypy38.yaml @@ -1,4 +1,4 @@ -migrator_ts: 1666686085 +migrator_ts: 1647123563 __migrator: migration_number: 1 operation: key_add @@ -10,28 +10,32 @@ __migrator: - 3.8.* *_cpython - 3.9.* *_cpython - 3.10.* *_cpython - - 3.11.* *_cpython # new entry + - 3.11.* *_cpython - 3.6.* *_73_pypy - 3.7.* *_73_pypy - 3.8.* *_73_pypy - 3.9.* *_73_pypy - paused: false + paused: False longterm: True + use_local: False + check_solvable: True + exclude_pinned_pkgs: False pr_limit: 10 - max_solver_attempts: 10 # this will make the bot retry "not solvable" stuff 10 times + bump_number: 1 + commit_message: "Rebuild for PyPy3.9" exclude: # this shouldn't attempt to modify the python feedstocks - python - pypy3.6 - pypy-meta - - cross-python - - python_abi - exclude_pinned_pkgs: false + ignored_deps_per_node: + matplotlib: + - pyqt python: - - 3.11.* *_cpython -# additional entries to add for zip_keys + - 3.9.* *_73_pypy # [not (osx and arm64)] numpy: - - 1.23 + # part of a zip_keys: python, python_impl, numpy + - 1.22 # [not (osx and arm64)] python_impl: - - cpython + - pypy # [not (osx and arm64)] diff --git a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index 6c1f06b0..326c73ae 100644 --- a/.ci_support/osx_64_numpy1.21opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.21' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index 052ce675..90d8acdb 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml new file mode 100644 index 00000000..284de75d --- /dev/null +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml @@ -0,0 +1,37 @@ +MACOSX_DEPLOYMENT_TARGET: +- '10.9' +MACOSX_SDK_VERSION: +- '10.12' +c_compiler: +- clang +c_compiler_version: +- '15' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '15' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '1.22' +opencl_impl: +- apple +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- osx-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index c9ec16db..5161aa0d 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index d4b6c3f6..b3157d75 100644 --- a/.ci_support/osx_64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.21' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index 1b54d2b3..31b36fe6 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml new file mode 100644 index 00000000..a2c5cc58 --- /dev/null +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml @@ -0,0 +1,37 @@ +MACOSX_DEPLOYMENT_TARGET: +- '10.9' +MACOSX_SDK_VERSION: +- '10.12' +c_compiler: +- clang +c_compiler_version: +- '15' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '15' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '1.22' +opencl_impl: +- khronos +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- osx-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml rename to .ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index a2518e76..9c96973b 100644 --- a/.ci_support/osx_64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,11 +15,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: -- '1.20' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index 6ddb0d2f..875d77c8 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index 69a6b7ab..872ec3fe 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index 3b21fd04..25074ebf 100644 --- a/.ci_support/osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.21' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index c23d8faf..facc85c6 100644 --- a/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.20' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index 563720be..505ee5e6 100644 --- a/.ci_support/osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.20' +- '1.22' opencl_impl: - apple pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index bf280dcf..e51bf877 100644 --- a/.ci_support/osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.21' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index ea3dfc9d..0e5510ca 100644 --- a/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.20' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml similarity index 95% rename from .ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml rename to .ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index f9eb4ff2..5f713074 100644 --- a/.ci_support/osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,11 +13,11 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: -- '1.20' +- '1.22' opencl_impl: - khronos pin_run_as_build: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index c41c171e..d5709641 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index 663e956e..d6c7f899 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '14' +- '15' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '14' +- '15' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index d48b4778..00000000 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index d1c1fc96..00000000 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index f665d9a4..00000000 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- vs2019 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index ad1e9ce4..00000000 --- a/.ci_support/win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '10.2' -cxx_compiler: -- vs2019 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index 5bbc9be1..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index 413a578f..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index 3831f1dd..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- vs2019 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index d97ceaeb..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.0' -cxx_compiler: -- vs2019 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml deleted file mode 100644 index 5cc511ff..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.8.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml deleted file mode 100644 index eff4a82b..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- vs2019 -numpy: -- '1.20' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.9.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml deleted file mode 100644 index 8779c0b6..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- vs2019 -numpy: -- '1.21' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.10.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml deleted file mode 100644 index 9f280742..00000000 --- a/.ci_support/win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython.yaml +++ /dev/null @@ -1,25 +0,0 @@ -c_compiler: -- vs2019 -channel_sources: -- conda-forge -channel_targets: -- conda-forge openmm_rc -cuda_compiler: -- nvcc -cuda_compiler_version: -- '11.1' -cxx_compiler: -- vs2019 -numpy: -- '1.23' -pin_run_as_build: - python: - min_pin: x.x - max_pin: x.x -python: -- 3.11.* *_cpython -target_platform: -- win-64 -zip_keys: -- - python - - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml similarity index 85% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml rename to .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml index 0569a77a..51de48a5 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.21' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -21,5 +21,7 @@ python: target_platform: - win-64 zip_keys: +- - cuda_compiler + - cuda_compiler_version - - python - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml similarity index 85% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml rename to .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml index 231ecb8d..78bf3b2e 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -21,5 +21,7 @@ python: target_platform: - win-64 zip_keys: +- - cuda_compiler + - cuda_compiler_version - - python - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml new file mode 100644 index 00000000..560021b5 --- /dev/null +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml @@ -0,0 +1,27 @@ +c_compiler: +- vs2019 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- vs2019 +numpy: +- '1.22' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.9.* *_73_pypy +target_platform: +- win-64 +zip_keys: +- - cuda_compiler + - cuda_compiler_version +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml similarity index 85% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml rename to .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml index 32d32197..f1e756d1 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cuda_compiler_version: cxx_compiler: - vs2019 numpy: -- '1.20' +- '1.22' pin_run_as_build: python: min_pin: x.x @@ -21,5 +21,7 @@ python: target_platform: - win-64 zip_keys: +- - cuda_compiler + - cuda_compiler_version - - python - numpy diff --git a/.ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml similarity index 88% rename from .ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml rename to .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml index 97e9faba..b3653c01 100644 --- a/.ci_support/win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml @@ -21,5 +21,7 @@ python: target_platform: - win-64 zip_keys: +- - cuda_compiler + - cuda_compiler_version - - python - numpy diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index 84431a63..322832b9 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -31,11 +31,10 @@ pkgs_dirs: CONDARC - -mamba install --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" -mamba update --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" +mamba install --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ + pip mamba conda-build boa conda-forge-ci-setup=3 +mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ + pip mamba conda-build boa conda-forge-ci-setup # set up the condarc setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" diff --git a/.scripts/create_conda_build_artifacts.bat b/.scripts/create_conda_build_artifacts.bat index 79ce625d..2853cfdc 100755 --- a/.scripts/create_conda_build_artifacts.bat +++ b/.scripts/create_conda_build_artifacts.bat @@ -54,8 +54,8 @@ if defined BLD_ARTIFACT_PREFIX ( echo ##vso[task.setVariable variable=BLD_ARTIFACT_PATH]!BLD_ARTIFACT_PATH! ) if "%CI%" == "github_actions" ( - echo ::set-output name=BLD_ARTIFACT_NAME::!BLD_ARTIFACT_NAME! - echo ::set-output name=BLD_ARTIFACT_PATH::!BLD_ARTIFACT_PATH! + echo BLD_ARTIFACT_NAME=!BLD_ARTIFACT_NAME!>> !GITHUB_OUTPUT! + echo BLD_ARTIFACT_PATH=!BLD_ARTIFACT_PATH!>> !GITHUB_OUTPUT! ) ) @@ -74,7 +74,7 @@ if defined ENV_ARTIFACT_PREFIX ( echo ##vso[task.setVariable variable=ENV_ARTIFACT_PATH]!ENV_ARTIFACT_PATH! ) if "%CI%" == "github_actions" ( - echo ::set-output name=ENV_ARTIFACT_NAME::!ENV_ARTIFACT_NAME! - echo ::set-output name=ENV_ARTIFACT_PATH::!ENV_ARTIFACT_PATH! + echo ENV_ARTIFACT_NAME=!ENV_ARTIFACT_NAME!>> !GITHUB_OUTPUT! + echo ENV_ARTIFACT_PATH=!ENV_ARTIFACT_PATH!>> !GITHUB_OUTPUT! ) ) \ No newline at end of file diff --git a/.scripts/create_conda_build_artifacts.sh b/.scripts/create_conda_build_artifacts.sh index cba0faee..17ec0868 100755 --- a/.scripts/create_conda_build_artifacts.sh +++ b/.scripts/create_conda_build_artifacts.sh @@ -79,8 +79,8 @@ if [[ ! -z "$BLD_ARTIFACT_PREFIX" ]]; then echo "##vso[task.setVariable variable=BLD_ARTIFACT_NAME]$BLD_ARTIFACT_NAME" echo "##vso[task.setVariable variable=BLD_ARTIFACT_PATH]$BLD_ARTIFACT_PATH" elif [[ "$CI" == "github_actions" ]]; then - echo "::set-output name=BLD_ARTIFACT_NAME::$BLD_ARTIFACT_NAME" - echo "::set-output name=BLD_ARTIFACT_PATH::$BLD_ARTIFACT_PATH" + echo "BLD_ARTIFACT_NAME=$BLD_ARTIFACT_NAME" >> $GITHUB_OUTPUT + echo "BLD_ARTIFACT_PATH=$BLD_ARTIFACT_PATH" >> $GITHUB_OUTPUT fi fi @@ -107,7 +107,7 @@ if [[ ! -z "$ENV_ARTIFACT_PREFIX" ]]; then echo "##vso[task.setVariable variable=ENV_ARTIFACT_NAME]$ENV_ARTIFACT_NAME" echo "##vso[task.setVariable variable=ENV_ARTIFACT_PATH]$ENV_ARTIFACT_PATH" elif [[ "$CI" == "github_actions" ]]; then - echo "::set-output name=ENV_ARTIFACT_NAME::$ENV_ARTIFACT_NAME" - echo "::set-output name=ENV_ARTIFACT_PATH::$ENV_ARTIFACT_PATH" + echo "ENV_ARTIFACT_NAME=$ENV_ARTIFACT_NAME" >> $GITHUB_OUTPUT + echo "ENV_ARTIFACT_PATH=$ENV_ARTIFACT_PATH" >> $GITHUB_OUTPUT fi fi \ No newline at end of file diff --git a/.scripts/logging_utils.sh b/.scripts/logging_utils.sh index 57bc95c2..aff009f0 100644 --- a/.scripts/logging_utils.sh +++ b/.scripts/logging_utils.sh @@ -12,7 +12,7 @@ function startgroup { echo "##[group]$1";; travis ) echo "$1" - echo -en 'travis_fold:start:'"${1// /}"'\\r';; + echo -en 'travis_fold:start:'"${1// /}"'\r';; github_actions ) echo "::group::$1";; * ) @@ -28,7 +28,7 @@ function endgroup { azure ) echo "##[endgroup]";; travis ) - echo -en 'travis_fold:end:'"${1// /}"'\\r';; + echo -en 'travis_fold:end:'"${1// /}"'\r';; github_actions ) echo "::endgroup::";; esac diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index b3abaeb5..cd9a88f2 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -23,10 +23,10 @@ bash $MINIFORGE_FILE -b -p ${MINIFORGE_HOME} source ${MINIFORGE_HOME}/etc/profile.d/conda.sh conda activate base -mamba install --update-specs --quiet --yes --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" -mamba update --update-specs --yes --quiet --channel conda-forge \ - conda-build pip boa conda-forge-ci-setup=3 "py-lief<0.12" +mamba install --update-specs --quiet --yes --channel conda-forge --strict-channel-priority \ + pip mamba conda-build boa conda-forge-ci-setup=3 +mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ + pip mamba conda-build boa conda-forge-ci-setup @@ -55,11 +55,6 @@ source run_conda_forge_build_setup echo -e "\n\nMaking the build clobber file" make_build_number ./ ./recipe ./.ci_support/${CONFIG}.yaml -if [[ "${HOST_PLATFORM}" != "${BUILD_PLATFORM}" ]]; then - EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --no-test" -fi - - if [[ -f LICENSE.txt ]]; then cp LICENSE.txt "recipe/recipe-scripts-license.txt" fi @@ -75,6 +70,11 @@ if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then # Drop into an interactive shell /bin/bash else + + if [[ "${HOST_PLATFORM}" != "${BUILD_PLATFORM}" ]]; then + EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --no-test" + fi + conda mambabuild ./recipe -m ./.ci_support/${CONFIG}.yaml \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ --clobber-file ./.ci_support/clobber_${CONFIG}.yaml diff --git a/.scripts/run_win_build.bat b/.scripts/run_win_build.bat new file mode 100755 index 00000000..07d34456 --- /dev/null +++ b/.scripts/run_win_build.bat @@ -0,0 +1,115 @@ +:: PLEASE NOTE: This script has been automatically generated by conda-smithy. Any changes here +:: will be lost next time ``conda smithy rerender`` is run. If you would like to make permanent +:: changes to this script, consider a proposal to conda-smithy so that other feedstocks can also +:: benefit from the improvement. + +:: Note: we assume a Miniforge installation is available + +:: INPUTS (required environment variables) +:: CONFIG: name of the .ci_support/*.yaml file for this job +:: CI: azure, github_actions, or unset +:: UPLOAD_PACKAGES: true or false +:: UPLOAD_ON_BRANCH: true or false + +setlocal enableextensions enabledelayedexpansion + +call :start_group "Configuring conda" + +:: Activate the base conda environment +call activate base + +:: Provision the necessary dependencies to build the recipe later +echo Installing dependencies +mamba.exe install "python=3.10" pip mamba conda-build boa conda-forge-ci-setup=3 -c conda-forge --strict-channel-priority --yes +if !errorlevel! neq 0 exit /b !errorlevel! + +:: Set basic configuration +echo Setting up configuration +setup_conda_rc .\ ".\recipe" .\.ci_support\%CONFIG%.yaml +if !errorlevel! neq 0 exit /b !errorlevel! +echo Running build setup +CALL run_conda_forge_build_setup + + +if !errorlevel! neq 0 exit /b !errorlevel! + +if EXIST LICENSE.txt ( + echo Copying feedstock license + copy LICENSE.txt "recipe\\recipe-scripts-license.txt" +) +if NOT [%HOST_PLATFORM%] == [%BUILD_PLATFORM%] ( + set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --no-test" +) + +call :end_group + +:: Build the recipe +echo Building recipe +conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables %EXTRA_CB_OPTIONS% +if !errorlevel! neq 0 exit /b !errorlevel! + +:: Prepare some environment variables for the upload step +if /i "%CI%" == "github_actions" ( + set "FEEDSTOCK_NAME=%GITHUB_REPOSITORY:*/=%" + set "GIT_BRANCH=%GITHUB_REF:refs/heads/=%" + if /i "%GITHUB_EVENT_NAME%" == "pull_request" ( + set "IS_PR_BUILD=True" + ) else ( + set "IS_PR_BUILD=False" + ) + set "TEMP=%RUNNER_TEMP%" +) +if /i "%CI%" == "azure" ( + set "FEEDSTOCK_NAME=%BUILD_REPOSITORY_NAME:*/=%" + set "GIT_BRANCH=%BUILD_SOURCEBRANCHNAME%" + if /i "%BUILD_REASON%" == "PullRequest" ( + set "IS_PR_BUILD=True" + ) else ( + set "IS_PR_BUILD=False" + ) + set "TEMP=%UPLOAD_TEMP%" +) + +:: Validate +call :start_group "Validating outputs" +validate_recipe_outputs "%FEEDSTOCK_NAME%" +if !errorlevel! neq 0 exit /b !errorlevel! +call :end_group + +if /i "%UPLOAD_PACKAGES%" == "true" ( + if /i "%IS_PR_BUILD%" == "false" ( + call :start_group "Uploading packages" + if not exist "%TEMP%\" md "%TEMP%" + set "TMP=%TEMP%" + upload_package --validate --feedstock-name="%FEEDSTOCK_NAME%" .\ ".\recipe" .ci_support\%CONFIG%.yaml + if !errorlevel! neq 0 exit /b !errorlevel! + call :end_group + ) +) + +exit + +:: Logging subroutines + +:start_group +if /i "%CI%" == "github_actions" ( + echo ::group::%~1 + exit /b +) +if /i "%CI%" == "azure" ( + echo ##[group]%~1 + exit /b +) +echo %~1 +exit /b + +:end_group +if /i "%CI%" == "github_actions" ( + echo ::endgroup:: + exit /b +) +if /i "%CI%" == "azure" ( + echo ##[endgroup] + exit /b +) +exit /b \ No newline at end of file diff --git a/README.md b/README.md index f2332533..a70bdd55 100644 --- a/README.md +++ b/README.md @@ -1,12 +1,12 @@ -About openmm -============ +About openmm-feedstock +====================== + +Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/openmm-feedstock/blob/main/LICENSE.txt) Home: http://openmm.org Package license: LGPL-3.0-or-later -Feedstock license: [BSD-3-Clause](https://github.com/conda-forge/openmm-feedstock/blob/main/LICENSE.txt) - Summary: A high performance toolkit for molecular simulation. Development: https://github.com/openmm/openmm @@ -40,367 +40,339 @@ Current build status
VariantStatus
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.7.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.7.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.7.____cpythonlinux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.7.____cpythonlinux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpython - variant + variant
linux_aarch64_numpy1.20python3.7.____cpythonlinux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpython - variant + variant
linux_aarch64_numpy1.20python3.8.____cpython - variant + variant
linux_aarch64_numpy1.20python3.9.____cpython - variant + variant
linux_aarch64_numpy1.21python3.10.____cpython - variant + variant
osx_64_numpy1.20opencl_implapplepython3.7.____cpythonlinux_aarch64_numpy1.23python3.11.____cpython - variant + variant
osx_64_numpy1.20opencl_implapplepython3.8.____cpython - variant + variant
osx_64_numpy1.20opencl_implapplepython3.9.____cpython - variant + variant
osx_64_numpy1.20opencl_implkhronospython3.7.____cpythonosx_64_numpy1.20opencl_implkhronospython3.8.____cpython - variant + variant
osx_64_numpy1.20opencl_implkhronospython3.8.____cpythonosx_64_numpy1.20opencl_implkhronospython3.9.____cpython - variant + variant
osx_64_numpy1.20opencl_implkhronospython3.9.____cpythonosx_64_numpy1.21opencl_implapplepython3.10.____cpython - variant + variant
osx_64_numpy1.21opencl_implapplepython3.10.____cpythonosx_64_numpy1.21opencl_implkhronospython3.10.____cpython - variant + variant
osx_64_numpy1.21opencl_implkhronospython3.10.____cpythonosx_64_numpy1.23opencl_implapplepython3.11.____cpython + + variant + +
osx_64_numpy1.23opencl_implkhronospython3.11.____cpython - variant + variant
osx_arm64_numpy1.20opencl_implapplepython3.8.____cpython - variant + variant
osx_arm64_numpy1.20opencl_implapplepython3.9.____cpython - variant + variant
osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpython - variant + variant
osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpython - variant + variant
osx_arm64_numpy1.21opencl_implapplepython3.10.____cpython - variant + variant
osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpython - variant + variant
win_64_cuda_compiler_version10.2numpy1.20python3.7.____cpythonosx_arm64_numpy1.23opencl_implapplepython3.11.____cpython - variant + variant + +
osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython + + variant
win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpython - variant + variant
win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpython - variant + variant + +
win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpython + + variant
win_64_cuda_compiler_version11.0numpy1.20python3.7.____cpythonwin_64_cuda_compiler_version10.2numpy1.23python3.11.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpython - variant + variant + +
win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpython + + variant
win_64_cuda_compiler_version11.1numpy1.20python3.7.____cpythonwin_64_cuda_compiler_version11.0numpy1.23python3.11.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpython - variant + variant + +
win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpython + + variant
win_64_cuda_compiler_version11.2numpy1.20python3.7.____cpythonwin_64_cuda_compiler_version11.1numpy1.23python3.11.____cpython - variant + variant
win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpython - variant + variant + +
win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpython + + variant + +
win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpython + + variant
- - - - - - - - - - - - - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + diff --git a/conda-forge.yml b/conda-forge.yml index cec78817..10cb3d97 100644 --- a/conda-forge.yml +++ b/conda-forge.yml @@ -1,17 +1,18 @@ azure: + free_disk_space: true store_build_artifacts: true build_platform: linux_aarch64: linux_64 osx_arm64: osx_64 +conda_build: + pkg_format: '2' conda_forge_output_validation: true -provider: - linux_aarch64: default - linux_ppc64le: azure -test_on_native_only: true github: branch_name: main tooling_branch_name: main os_version: linux_64: cos7 -conda_build: - pkg_format: '2' +provider: + linux_aarch64: default + linux_ppc64le: azure +test_on_native_only: true diff --git a/recipe/conda_build_config.yaml b/recipe/conda_build_config.yaml index e49b538d..c266cc4c 100644 --- a/recipe/conda_build_config.yaml +++ b/recipe/conda_build_config.yaml @@ -4,4 +4,4 @@ opencl_impl: # [osx] channel_targets: - conda-forge openmm_rc MACOSX_SDK_VERSION: # [osx and x86_64] - - "10.12" # [osx and x86_64] \ No newline at end of file + - "10.12" # [osx and x86_64] diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 2ef1e367..bbf6bc35 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,5 +1,5 @@ {% set name = "openmm" %} -{% set version = "8.0.0rc2" %} +{% set version = "8.1.0beta" %} {% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "a780005" + git_rev: "432b583" build: number: {{ build }} @@ -59,13 +59,19 @@ requirements: - lxml - numpy - cython + - setuptools # OpenCL ICD - ocl-icd # [linux] - khronos-opencl-icd-loader # [win or (osx and opencl_impl == 'khronos')] + - libcufft-dev # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] + - cuda-profiler-api # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] + - cuda-nvrtc-dev # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] + - cuda-driver-dev # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] run: - python - numpy + - scipy # OpenCL ICD - ocl-icd # [linux] - ocl-icd-system # [linux] @@ -75,12 +81,13 @@ requirements: run_constrained: - khronos-opencl-icd-loader ==9999999999 # [osx and opencl_impl == 'apple'] - ocl_icd_wrapper_apple ==9999999999 # [osx and opencl_impl == 'apple'] - - python <3.9.9 # [py == 39 and win] test: requires: - git - pocl # [linux] + - cuda-driver-dev # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] + - cuda-compat # [(linux64 or ppc64le or win) and (cuda_compiler_version or "").startswith("12")] {% if with_test_suite == 'true' %} - pytest - pytest-xdist diff --git a/recipe/test_openmm.bat b/recipe/test_openmm.bat index ad39e953..1930ed6b 100644 --- a/recipe/test_openmm.bat +++ b/recipe/test_openmm.bat @@ -10,7 +10,6 @@ if not exist %LIBRARY_LIB%/plugins/OpenMMCPU.lib exit 1 if not exist %LIBRARY_LIB%/plugins/OpenMMPME.lib exit 1 if not exist %LIBRARY_LIB%/plugins/OpenMMOpenCL.lib exit 1 if not exist %LIBRARY_LIB%/plugins/OpenMMCUDA.lib exit 1 -if not exist %LIBRARY_LIB%/plugins/OpenMMCudaCompiler.lib exit 1 :: Debug silent errors in plugin loading python -c "import openmm as mm; print('---Loaded---', *mm.pluginLoadedLibNames, '---Failed---', *mm.Platform.getPluginLoadFailures(), sep='\n')" @@ -43,10 +42,12 @@ if "%CI%"=="" ( :: See https://stackoverflow.com/a/7006016/3407590 for substring checks in CMD if x%PKG_VERSION:rc=%==x%PKG_VERSION% ( if x%PKG_VERSION:beta=%==x%PKG_VERSION% ( - python -c "from openmm import Platform; v = Platform.getOpenMMVersion(); assert '%PKG_VERSION%' in (v, v+'.0'), v + '!=%PKG_VERSION%'" || goto :error - for /f "usebackq tokens=1" %%a in (`git ls-remote https://github.com/openmm/openmm.git %PKG_VERSION%`) do ( + if x%PKG_VERSION:dev=%==x%PKG_VERSION% ( + python -c "from openmm import Platform; v = Platform.getOpenMMVersion(); assert '%PKG_VERSION%' in (v, v+'.0'), v + '!=%PKG_VERSION%'" || goto :error + for /f "usebackq tokens=1" %%a in (`git ls-remote https://github.com/openmm/openmm.git %PKG_VERSION%`) do ( python -c "from openmm.version import git_revision; r = git_revision; assert r == '%%a', r + '!=%%a'" || goto :error - ) + ) + ) ) ) else ( echo "!!! WARNING !!!" @@ -103,4 +104,4 @@ goto :EOF :error echo Failed with error #%errorlevel%. -exit /b %errorlevel% \ No newline at end of file +exit /b %errorlevel% diff --git a/recipe/test_openmm.sh b/recipe/test_openmm.sh index 10bfb773..13f760b3 100644 --- a/recipe/test_openmm.sh +++ b/recipe/test_openmm.sh @@ -10,7 +10,6 @@ test -f $PREFIX/lib/plugins/libOpenMMOpenCL$SHLIB_EXT if [[ "$target_platform" == linux-64 || "$target_platform" == linux-ppc64le ]]; then with_cuda="yes" test -f $PREFIX/lib/plugins/libOpenMMCUDA$SHLIB_EXT - test -f $PREFIX/lib/plugins/libOpenMMCudaCompiler$SHLIB_EXT fi ## Do they work properly? @@ -32,7 +31,8 @@ else # MacOS / ARM only see 3 because CUDA is not available there n_platforms=3 fi -python -c "from openmm import Platform as P; n = P.getNumPlatforms(); assert n == $n_platforms, f'n_platforms ({n}) != $n_platforms'" +# testing cuda 12 changes, see https://github.com/conda-forge/openmm-feedstock/pull/108#issuecomment-1692190752 +#python -c "from openmm import Platform as P; n = P.getNumPlatforms(); assert n == $n_platforms, f'n_platforms ({n}) != $n_platforms'" # Run a small MD cd ${PREFIX}/share/openmm/examples @@ -46,7 +46,7 @@ if [[ -z ${CI-} ]]; then # Run only outside CI, assuming there will be a GPU th fi # Check version metadata looks ok, only for final releases, RCs are not checked! -if [[ ${PKG_VERSION} != *"rc"* && ${PKG_VERSION} != *"beta"* ]]; then +if [[ ${PKG_VERSION} != *"rc"* && ${PKG_VERSION} != *"beta"* && ${PKG_VERSION} != *"dev"* ]]; then python -c "from openmm import Platform; v = Platform.getOpenMMVersion(); assert \"$PKG_VERSION\" in (v, v+'.0'), v + \"!=$PKG_VERSION\"" git_revision=$(git ls-remote https://github.com/openmm/openmm.git $PKG_VERSION | awk '{ print $1}') python -c "from openmm.version import git_revision; r = git_revision; assert r == \"$git_revision\", r + \"!=$git_revision\"" From b54b7e6183f7cbe708aa12091e71d5fef6b53d11 Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Fri, 6 Oct 2023 11:16:25 -0700 Subject: [PATCH 16/23] bump ci From 9d4f13ea9d0c275be4758fe8c5a6283cbc459e64 Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Mon, 9 Oct 2023 14:03:22 -0700 Subject: [PATCH 17/23] Add Python 3.12 migration (#113) * Add Python 3.12 migration * MNT: Re-rendered with conda-build 3.27.0, conda-smithy 3.27.1, and conda-forge-pinning 2023.10.08.10.53.16 --------- Co-authored-by: conda-forge-webservices[bot] <91080706+conda-forge-webservices[bot]@users.noreply.github.com> --- .azure-pipelines/azure-pipelines-linux.yml | 26 +++++++ .azure-pipelines/azure-pipelines-osx.yml | 17 +++++ .azure-pipelines/azure-pipelines-win.yml | 5 ++ ...sion10numpy1.26python3.12.____cpython.yaml | 39 +++++++++++ ...sion12numpy1.26python3.12.____cpython.yaml | 39 +++++++++++ ...sion10numpy1.26python3.12.____cpython.yaml | 40 +++++++++++ ...sion12numpy1.26python3.12.____cpython.yaml | 40 +++++++++++ ...sion12numpy1.26python3.12.____cpython.yaml | 40 +++++++++++ .ci_support/migrations/python312.yaml | 42 +++++++++++ ...pencl_implapplepython3.10.____cpython.yaml | 4 +- ...opencl_implapplepython3.8.____cpython.yaml | 4 +- ...opencl_implapplepython3.9.____73_pypy.yaml | 4 +- ...opencl_implapplepython3.9.____cpython.yaml | 4 +- ...ncl_implkhronospython3.10.____cpython.yaml | 4 +- ...encl_implkhronospython3.8.____cpython.yaml | 4 +- ...encl_implkhronospython3.9.____73_pypy.yaml | 4 +- ...encl_implkhronospython3.9.____cpython.yaml | 4 +- ...pencl_implapplepython3.11.____cpython.yaml | 4 +- ...ncl_implkhronospython3.11.____cpython.yaml | 4 +- ...pencl_implapplepython3.12.____cpython.yaml | 37 ++++++++++ ...ncl_implkhronospython3.12.____cpython.yaml | 37 ++++++++++ ...pencl_implapplepython3.10.____cpython.yaml | 4 +- ...opencl_implapplepython3.8.____cpython.yaml | 4 +- ...opencl_implapplepython3.9.____cpython.yaml | 4 +- ...ncl_implkhronospython3.10.____cpython.yaml | 4 +- ...encl_implkhronospython3.8.____cpython.yaml | 4 +- ...encl_implkhronospython3.9.____cpython.yaml | 4 +- ...pencl_implapplepython3.11.____cpython.yaml | 4 +- ...ncl_implkhronospython3.11.____cpython.yaml | 4 +- ...pencl_implapplepython3.12.____cpython.yaml | 35 ++++++++++ ...ncl_implkhronospython3.12.____cpython.yaml | 35 ++++++++++ ...on11.2numpy1.26python3.12.____cpython.yaml | 27 +++++++ .scripts/build_steps.sh | 2 +- .scripts/run_osx_build.sh | 2 +- README.md | 70 +++++++++++++++++++ recipe/meta.yaml | 2 +- 36 files changed, 568 insertions(+), 39 deletions(-) create mode 100644 .ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml create mode 100644 .ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml create mode 100644 .ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml create mode 100644 .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml create mode 100644 .ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml create mode 100644 .ci_support/migrations/python312.yaml create mode 100644 .ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml create mode 100644 .ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml create mode 100644 .ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml create mode 100644 .ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml create mode 100644 .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index 051fcecd..46035398 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -33,6 +33,11 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_h580b7334a4 + ? linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython + : CONFIG: linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc8bed6ac64 ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -58,6 +63,11 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_hd008acaf9d + ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython + : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_64_c_compiler_version12cuda_c_h6bb9447690 linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython: CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -83,6 +93,11 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 SHORT_CONFIG: linux_aarch64_c_compiler_version10c_hd562e86a91 + linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython: + CONFIG: linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 + SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h8246e5e9d2 linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython: CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -108,6 +123,11 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h0e2e042b5f + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h514c7033c3 linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython: CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -133,6 +153,12 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_aarch64_c_compiler_version12c_hd95d8cc773 + linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython: + CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 + SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h95ec86a677 + maxParallel: 26 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index 055b7192..32bd95f6 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -48,6 +48,14 @@ jobs: CONFIG: osx_64_numpy1.23opencl_implkhronospython3.11.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_64_numpy1.23opencl_implkhronosp_h1b3f6d8cac + osx_64_numpy1.26opencl_implapplepython3.12.____cpython: + CONFIG: osx_64_numpy1.26opencl_implapplepython3.12.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.26opencl_implapplepyt_h6975ce72fe + osx_64_numpy1.26opencl_implkhronospython3.12.____cpython: + CONFIG: osx_64_numpy1.26opencl_implkhronospython3.12.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_64_numpy1.26opencl_implkhronosp_h3fdadcb1f5 osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython: CONFIG: osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -80,6 +88,15 @@ jobs: CONFIG: osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_arm64_numpy1.23opencl_implkhron_h95b3c2c1e1 + osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython: + CONFIG: osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_arm64_numpy1.26opencl_implapple_h4b198e7614 + osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython: + CONFIG: osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: osx_arm64_numpy1.26opencl_implkhron_hfa3c7f18f5 + maxParallel: 19 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index a8d53680..23e296d6 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -28,6 +28,11 @@ jobs: CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h275b1247ec + win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h3d2cc50094 + maxParallel: 5 timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..9c497a8a --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,39 @@ +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- linux-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..2cc1d3c4 --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,39 @@ +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- cuda-nvcc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- linux-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..8c829358 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '10' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- gxx +cxx_compiler_version: +- '10' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.2 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..764317d7 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- '12.0' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..b1951680 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '12' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +docker_image: +- quay.io/condaforge/linux-anvil-cos7-x86_64 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/migrations/python312.yaml b/.ci_support/migrations/python312.yaml new file mode 100644 index 00000000..98b527ac --- /dev/null +++ b/.ci_support/migrations/python312.yaml @@ -0,0 +1,42 @@ +migrator_ts: 1695046563 +__migrator: + migration_number: 1 + operation: key_add + primary_key: python + ordering: + python: + - 3.6.* *_cpython + - 3.7.* *_cpython + - 3.8.* *_cpython + - 3.9.* *_cpython + - 3.10.* *_cpython + - 3.11.* *_cpython + - 3.12.* *_cpython # new entry + - 3.6.* *_73_pypy + - 3.7.* *_73_pypy + - 3.8.* *_73_pypy + - 3.9.* *_73_pypy + paused: false + longterm: True + pr_limit: 60 + max_solver_attempts: 3 # this will make the bot retry "not solvable" stuff 12 times + exclude: + # this shouldn't attempt to modify the python feedstocks + - python + - pypy3.6 + - pypy-meta + - cross-python + - python_abi + exclude_pinned_pkgs: false + additional_zip_keys: + - channel_sources + +python: + - 3.12.* *_cpython +channel_sources: + - conda-forge/label/python_rc,conda-forge +# additional entries to add for zip_keys +numpy: + - 1.26 +python_impl: + - cpython \ No newline at end of file diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index 326c73ae..766008c8 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index 90d8acdb..af5b87b2 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml index 284de75d..a413e1ca 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index 5161aa0d..430ed0ac 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index b3157d75..185b7c7c 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index 31b36fe6..aa4a15a1 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml index a2c5cc58..515ebe32 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index 9c96973b..de9321f7 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index 875d77c8..11668e84 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index 872ec3fe..f242257b 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -5,7 +5,7 @@ MACOSX_SDK_VERSION: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -15,7 +15,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - x86_64-apple-darwin13.4.0 numpy: diff --git a/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml b/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml new file mode 100644 index 00000000..6e91a336 --- /dev/null +++ b/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml @@ -0,0 +1,37 @@ +MACOSX_DEPLOYMENT_TARGET: +- '10.9' +MACOSX_SDK_VERSION: +- '10.12' +c_compiler: +- clang +c_compiler_version: +- '16' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '16' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '1.26' +opencl_impl: +- apple +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- osx-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml b/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml new file mode 100644 index 00000000..5b5b128d --- /dev/null +++ b/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml @@ -0,0 +1,37 @@ +MACOSX_DEPLOYMENT_TARGET: +- '10.9' +MACOSX_SDK_VERSION: +- '10.12' +c_compiler: +- clang +c_compiler_version: +- '16' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '16' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '1.26' +opencl_impl: +- khronos +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- osx-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index 25074ebf..d3012168 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index facc85c6..ca186c74 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index 505ee5e6..50aa9609 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index e51bf877..660f2a87 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index 0e5510ca..8ec8744a 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index 5f713074..53fc772b 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index d5709641..7853cc74 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index d6c7f899..45cda7ad 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -3,7 +3,7 @@ MACOSX_DEPLOYMENT_TARGET: c_compiler: - clang c_compiler_version: -- '15' +- '16' channel_sources: - conda-forge channel_targets: @@ -13,7 +13,7 @@ cuda_compiler_version: cxx_compiler: - clangxx cxx_compiler_version: -- '15' +- '16' macos_machine: - arm64-apple-darwin20.0.0 numpy: diff --git a/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml b/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml new file mode 100644 index 00000000..8e3edb2a --- /dev/null +++ b/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml @@ -0,0 +1,35 @@ +MACOSX_DEPLOYMENT_TARGET: +- '11.0' +c_compiler: +- clang +c_compiler_version: +- '16' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '16' +macos_machine: +- arm64-apple-darwin20.0.0 +numpy: +- '1.26' +opencl_impl: +- apple +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- osx-arm64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml b/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml new file mode 100644 index 00000000..a8dfe1da --- /dev/null +++ b/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml @@ -0,0 +1,35 @@ +MACOSX_DEPLOYMENT_TARGET: +- '11.0' +c_compiler: +- clang +c_compiler_version: +- '16' +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler_version: +- None +cxx_compiler: +- clangxx +cxx_compiler_version: +- '16' +macos_machine: +- arm64-apple-darwin20.0.0 +numpy: +- '1.26' +opencl_impl: +- khronos +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- osx-arm64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..85212a1d --- /dev/null +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,27 @@ +c_compiler: +- vs2019 +channel_sources: +- conda-forge +channel_targets: +- conda-forge openmm_rc +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.2' +cxx_compiler: +- vs2019 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- win-64 +zip_keys: +- - cuda_compiler + - cuda_compiler_version +- - python + - numpy diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index 322832b9..bd9e6710 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -34,7 +34,7 @@ CONDARC mamba install --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ pip mamba conda-build boa conda-forge-ci-setup=3 mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup + pip mamba conda-build boa conda-forge-ci-setup=3 # set up the condarc setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index cd9a88f2..870c49aa 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -26,7 +26,7 @@ conda activate base mamba install --update-specs --quiet --yes --channel conda-forge --strict-channel-priority \ pip mamba conda-build boa conda-forge-ci-setup=3 mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup + pip mamba conda-build boa conda-forge-ci-setup=3 diff --git a/README.md b/README.md index a70bdd55..fdde672e 100644 --- a/README.md +++ b/README.md @@ -74,6 +74,13 @@ Current build status variant + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
VariantStatus
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.8.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.20python3.9.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.21python3.10.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compiler_version11.1cxx_compiler_version10numpy1.23python3.11.____cpython - - variant - -
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.8.____cpythonlinux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.20python3.9.____cpythonlinux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.21python3.10.____cpythonlinux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy - variant + variant
linux_64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpythonlinux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.8.____cpythonlinux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.20python3.9.____cpythonlinux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.21python3.10.____cpythonlinux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython - variant + variant
linux_64_c_compiler_version7cuda_compiler_version10.2cxx_compiler_version7numpy1.23python3.11.____cpythonlinux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.8.____cpythonlinux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.20python3.9.____cpythonlinux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.21python3.10.____cpythonlinux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython - variant + variant
linux_64_c_compiler_version9cuda_compiler_version11.0cxx_compiler_version9numpy1.23python3.11.____cpythonlinux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython - variant + variant
linux_aarch64_numpy1.20python3.8.____cpythonlinux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy - variant + variant
linux_aarch64_numpy1.20python3.9.____cpythonlinux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython - variant + variant
linux_aarch64_numpy1.21python3.10.____cpythonlinux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython - variant + variant
linux_aarch64_numpy1.23python3.11.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython - variant + variant
osx_64_numpy1.20opencl_implapplepython3.8.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython - variant + variant
osx_64_numpy1.20opencl_implapplepython3.9.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy - variant + variant
osx_64_numpy1.20opencl_implkhronospython3.8.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython - variant + variant
osx_64_numpy1.20opencl_implkhronospython3.9.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython - variant + variant
osx_64_numpy1.21opencl_implapplepython3.10.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython - variant + variant
osx_64_numpy1.21opencl_implkhronospython3.10.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython - variant + variant
osx_64_numpy1.23opencl_implapplepython3.11.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy - variant + variant
osx_64_numpy1.23opencl_implkhronospython3.11.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython - variant + variant
osx_arm64_numpy1.20opencl_implapplepython3.8.____cpythonlinux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython - variant + variant
osx_arm64_numpy1.20opencl_implapplepython3.9.____cpythonosx_64_numpy1.22opencl_implapplepython3.10.____cpython - variant + variant
osx_arm64_numpy1.20opencl_implkhronospython3.8.____cpythonosx_64_numpy1.22opencl_implapplepython3.8.____cpython - variant + variant
osx_arm64_numpy1.20opencl_implkhronospython3.9.____cpythonosx_64_numpy1.22opencl_implapplepython3.9.____73_pypy - variant + variant
osx_arm64_numpy1.21opencl_implapplepython3.10.____cpythonosx_64_numpy1.22opencl_implapplepython3.9.____cpython - variant + variant
osx_arm64_numpy1.21opencl_implkhronospython3.10.____cpythonosx_64_numpy1.22opencl_implkhronospython3.10.____cpython - variant + variant
osx_arm64_numpy1.23opencl_implapplepython3.11.____cpythonosx_64_numpy1.22opencl_implkhronospython3.8.____cpython - variant + variant
osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpythonosx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy - variant + variant
win_64_cuda_compiler_version10.2numpy1.20python3.8.____cpythonosx_64_numpy1.22opencl_implkhronospython3.9.____cpython - variant + variant
win_64_cuda_compiler_version10.2numpy1.20python3.9.____cpythonosx_64_numpy1.23opencl_implapplepython3.11.____cpython - variant + variant
win_64_cuda_compiler_version10.2numpy1.21python3.10.____cpythonosx_64_numpy1.23opencl_implkhronospython3.11.____cpython - variant + variant
win_64_cuda_compiler_version10.2numpy1.23python3.11.____cpythonosx_arm64_numpy1.22opencl_implapplepython3.10.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.20python3.8.____cpythonosx_arm64_numpy1.22opencl_implapplepython3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.20python3.9.____cpythonosx_arm64_numpy1.22opencl_implapplepython3.9.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.21python3.10.____cpythonosx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython - variant + variant
win_64_cuda_compiler_version11.0numpy1.23python3.11.____cpythonosx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.20python3.8.____cpythonosx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.20python3.9.____cpythonosx_arm64_numpy1.23opencl_implapplepython3.11.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.21python3.10.____cpythonosx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython - variant + variant
win_64_cuda_compiler_version11.1numpy1.23python3.11.____cpythonwin_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython - variant + variant
win_64_cuda_compiler_version11.2numpy1.20python3.8.____cpythonwin_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython - variant + variant
win_64_cuda_compiler_version11.2numpy1.20python3.9.____cpythonwin_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy - variant + variant
win_64_cuda_compiler_version11.2numpy1.21python3.10.____cpythonwin_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython - variant + variant
win_64_cuda_compiler_version11.2numpy1.23python3.11.____cpythonwin_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython - variant + variant
linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython + + variant + +
linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython @@ -109,6 +116,13 @@ Current build status variant
linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython + + variant + +
linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython @@ -144,6 +158,13 @@ Current build status variant
linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython + + variant + +
linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython @@ -179,6 +200,13 @@ Current build status variant
linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython + + variant + +
linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython @@ -214,6 +242,13 @@ Current build status variant
linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython + + variant + +
osx_64_numpy1.22opencl_implapplepython3.10.____cpython @@ -284,6 +319,20 @@ Current build status variant
osx_64_numpy1.26opencl_implapplepython3.12.____cpython + + variant + +
osx_64_numpy1.26opencl_implkhronospython3.12.____cpython + + variant + +
osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython @@ -340,6 +389,20 @@ Current build status variant
osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython + + variant + +
osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython + + variant + +
win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython @@ -375,6 +438,13 @@ Current build status variant
win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython + + variant + +
diff --git a/recipe/meta.yaml b/recipe/meta.yaml index bbf6bc35..c7c5d04b 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} {% set version = "8.1.0beta" %} -{% set build = 0 %} +{% set build = 1 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] From df357950a1ed6363bbc908c5612a08ccc691d8c6 Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Thu, 9 Nov 2023 13:22:32 -0800 Subject: [PATCH 18/23] Build 8.1 release candidate 1 (#115) * Build 8.1 release candidate 1 * MNT: Re-rendered with conda-build 3.27.0, conda-smithy 3.28.0, and conda-forge-pinning 2023.11.08.21.35.56 --------- Co-authored-by: conda-forge-webservices[bot] <91080706+conda-forge-webservices[bot]@users.noreply.github.com> --- .azure-pipelines/azure-pipelines-linux.yml | 4 +++- .azure-pipelines/azure-pipelines-osx.yml | 3 +++ .azure-pipelines/azure-pipelines-win.yml | 3 +++ .scripts/build_steps.sh | 17 +++++++++++++---- .scripts/run_docker_build.sh | 3 +++ .scripts/run_osx_build.sh | 15 +++++++++++---- .scripts/run_win_build.bat | 12 ++++++++++-- README.md | 16 ++++++++-------- recipe/meta.yaml | 6 +++--- 9 files changed, 57 insertions(+), 22 deletions(-) diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index 46035398..b952271e 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -181,7 +181,6 @@ jobs: microsoft-edge-stable sudo apt-get autoremove -y >& /dev/null sudo apt-get autoclean -y >& /dev/null - sudo docker image prune --all --force df -h displayName: Manage disk space # configure qemu binfmt-misc running. This allows us to run docker containers @@ -194,6 +193,9 @@ jobs: - script: | export CI=azure + export flow_run_id=azure_$(Build.BuildNumber).$(System.JobAttempt) + export remote_url=$(Build.Repository.Uri) + export sha=$(Build.SourceVersion) export GIT_BRANCH=$BUILD_SOURCEBRANCHNAME export FEEDSTOCK_NAME=$(basename ${BUILD_REPOSITORY_NAME}) if [[ "${BUILD_REASON:-}" == "PullRequest" ]]; then diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index 32bd95f6..d1ea4a38 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -103,6 +103,9 @@ jobs: # TODO: Fast finish on azure pipelines? - script: | export CI=azure + export flow_run_id=azure_$(Build.BuildNumber).$(System.JobAttempt) + export remote_url=$(Build.Repository.Uri) + export sha=$(Build.SourceVersion) export OSX_FORCE_SDK_DOWNLOAD="1" export GIT_BRANCH=$BUILD_SOURCEBRANCHNAME export FEEDSTOCK_NAME=$(basename ${BUILD_REPOSITORY_NAME}) diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index 23e296d6..ec25cfe4 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -64,6 +64,9 @@ jobs: PYTHONUNBUFFERED: 1 CONFIG: $(CONFIG) CI: azure + flow_run_id: azure_$(Build.BuildNumber).$(System.JobAttempt) + remote_url: $(Build.Repository.Uri) + sha: $(Build.SourceVersion) UPLOAD_PACKAGES: $(UPLOAD_PACKAGES) UPLOAD_TEMP: $(UPLOAD_TEMP) BINSTAR_TOKEN: $(BINSTAR_TOKEN) diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index bd9e6710..064e539a 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -28,13 +28,15 @@ conda-build: pkgs_dirs: - ${FEEDSTOCK_ROOT}/build_artifacts/pkg_cache - /opt/conda/pkgs +solver: libmamba CONDARC +export CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1 mamba install --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=3 + pip mamba conda-build conda-forge-ci-setup=4 mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=3 + pip mamba conda-build conda-forge-ci-setup=4 # set up the condarc setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" @@ -55,6 +57,12 @@ if [[ -f "${FEEDSTOCK_ROOT}/LICENSE.txt" ]]; then cp "${FEEDSTOCK_ROOT}/LICENSE.txt" "${RECIPE_ROOT}/recipe-scripts-license.txt" fi +if [[ "${sha:-}" == "" ]]; then + pushd ${FEEDSTOCK_ROOT} + sha=$(git rev-parse HEAD) + popd +fi + if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then if [[ "x${BUILD_OUTPUT_ID:-}" != "x" ]]; then EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --output-id ${BUILD_OUTPUT_ID}" @@ -66,9 +74,10 @@ if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then # Drop into an interactive shell /bin/bash else - conda mambabuild "${RECIPE_ROOT}" -m "${CI_SUPPORT}/${CONFIG}.yaml" \ + conda build "${RECIPE_ROOT}" -m "${CI_SUPPORT}/${CONFIG}.yaml" \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ - --clobber-file "${CI_SUPPORT}/clobber_${CONFIG}.yaml" + --clobber-file "${CI_SUPPORT}/clobber_${CONFIG}.yaml" \ + --extra-meta flow_run_id="${flow_run_id:-}" remote_url="${remote_url:-}" sha="${sha:-}" ( startgroup "Validating outputs" ) 2> /dev/null validate_recipe_outputs "${FEEDSTOCK_NAME}" diff --git a/.scripts/run_docker_build.sh b/.scripts/run_docker_build.sh index 92362398..b70ef014 100755 --- a/.scripts/run_docker_build.sh +++ b/.scripts/run_docker_build.sh @@ -91,6 +91,9 @@ docker run ${DOCKER_RUN_ARGS} \ -e CPU_COUNT \ -e BUILD_WITH_CONDA_DEBUG \ -e BUILD_OUTPUT_ID \ + -e flow_run_id \ + -e remote_url \ + -e sha \ -e BINSTAR_TOKEN \ -e FEEDSTOCK_TOKEN \ -e STAGING_BINSTAR_TOKEN \ diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index 870c49aa..46ab346d 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -22,11 +22,13 @@ bash $MINIFORGE_FILE -b -p ${MINIFORGE_HOME} source ${MINIFORGE_HOME}/etc/profile.d/conda.sh conda activate base +export CONDA_SOLVER="libmamba" +export CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1 mamba install --update-specs --quiet --yes --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=3 + pip mamba conda-build conda-forge-ci-setup=4 mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build boa conda-forge-ci-setup=3 + pip mamba conda-build conda-forge-ci-setup=4 @@ -45,6 +47,10 @@ else echo -e "\n\nNot mangling homebrew as we are not running in CI" fi +if [[ "${sha:-}" == "" ]]; then + sha=$(git rev-parse HEAD) +fi + echo -e "\n\nRunning the build setup script." source run_conda_forge_build_setup @@ -75,9 +81,10 @@ else EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --no-test" fi - conda mambabuild ./recipe -m ./.ci_support/${CONFIG}.yaml \ + conda build ./recipe -m ./.ci_support/${CONFIG}.yaml \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ - --clobber-file ./.ci_support/clobber_${CONFIG}.yaml + --clobber-file ./.ci_support/clobber_${CONFIG}.yaml \ + --extra-meta flow_run_id="$flow_run_id" remote_url="$remote_url" sha="$sha" ( startgroup "Validating outputs" ) 2> /dev/null validate_recipe_outputs "${FEEDSTOCK_NAME}" diff --git a/.scripts/run_win_build.bat b/.scripts/run_win_build.bat index 07d34456..5b2b8492 100755 --- a/.scripts/run_win_build.bat +++ b/.scripts/run_win_build.bat @@ -17,10 +17,14 @@ call :start_group "Configuring conda" :: Activate the base conda environment call activate base +:: Configure the solver +set "CONDA_SOLVER=libmamba" +if !errorlevel! neq 0 exit /b !errorlevel! +set "CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1" :: Provision the necessary dependencies to build the recipe later echo Installing dependencies -mamba.exe install "python=3.10" pip mamba conda-build boa conda-forge-ci-setup=3 -c conda-forge --strict-channel-priority --yes +mamba.exe install "python=3.10" pip mamba conda-build conda-forge-ci-setup=4 -c conda-forge --strict-channel-priority --yes if !errorlevel! neq 0 exit /b !errorlevel! :: Set basic configuration @@ -41,11 +45,15 @@ if NOT [%HOST_PLATFORM%] == [%BUILD_PLATFORM%] ( set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --no-test" ) +if NOT [%flow_run_id%] == [] ( + set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --extra-meta flow_run_id=%flow_run_id% remote_url=%remote_url% sha=%sha%" +) + call :end_group :: Build the recipe echo Building recipe -conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables %EXTRA_CB_OPTIONS% +conda.exe build "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables %EXTRA_CB_OPTIONS% if !errorlevel! neq 0 exit /b !errorlevel! :: Prepare some environment variables for the upload step diff --git a/README.md b/README.md index fdde672e..36ed9b53 100644 --- a/README.md +++ b/README.md @@ -463,14 +463,14 @@ Current release info Installing openmm ================= -Installing `openmm` from the `conda-forge` channel can be achieved by adding `conda-forge` to your channels with: +Installing `openmm` from the `conda-forge/label/openmm_rc` channel can be achieved by adding `conda-forge/label/openmm_rc` to your channels with: ``` -conda config --add channels conda-forge +conda config --add channels conda-forge/label/openmm_rc conda config --set channel_priority strict ``` -Once the `conda-forge` channel has been enabled, `openmm` can be installed with `conda`: +Once the `conda-forge/label/openmm_rc` channel has been enabled, `openmm` can be installed with `conda`: ``` conda install openmm @@ -485,26 +485,26 @@ mamba install openmm It is possible to list all of the versions of `openmm` available on your platform with `conda`: ``` -conda search openmm --channel conda-forge +conda search openmm --channel conda-forge/label/openmm_rc ``` or with `mamba`: ``` -mamba search openmm --channel conda-forge +mamba search openmm --channel conda-forge/label/openmm_rc ``` Alternatively, `mamba repoquery` may provide more information: ``` # Search all versions available on your platform: -mamba repoquery search openmm --channel conda-forge +mamba repoquery search openmm --channel conda-forge/label/openmm_rc # List packages depending on `openmm`: -mamba repoquery whoneeds openmm --channel conda-forge +mamba repoquery whoneeds openmm --channel conda-forge/label/openmm_rc # List dependencies of `openmm`: -mamba repoquery depends openmm --channel conda-forge +mamba repoquery depends openmm --channel conda-forge/label/openmm_rc ``` diff --git a/recipe/meta.yaml b/recipe/meta.yaml index c7c5d04b..24e8e9c4 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,6 +1,6 @@ {% set name = "openmm" %} -{% set version = "8.1.0beta" %} -{% set build = 1 %} +{% set version = "8.1.0rc1" %} +{% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "432b583" + git_rev: "31abb2f" build: number: {{ build }} From 481eeaafc467a0010ab9725e819c64bca4752745 Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Thu, 16 Nov 2023 19:34:14 -0800 Subject: [PATCH 19/23] Build 8.1rc2 (#118) * Build 8.1rc2 * MNT: Re-rendered with conda-build 3.27.0, conda-smithy 3.29.0, and conda-forge-pinning 2023.11.16.09.46.51 --------- Co-authored-by: conda-forge-webservices[bot] <91080706+conda-forge-webservices[bot]@users.noreply.github.com> --- README.md | 2 +- recipe/meta.yaml | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index 36ed9b53..f2b567e7 100644 --- a/README.md +++ b/README.md @@ -526,7 +526,7 @@ available continuous integration services. Thanks to the awesome service provide [CircleCI](https://circleci.com/), [AppVeyor](https://www.appveyor.com/), [Drone](https://cloud.drone.io/welcome), and [TravisCI](https://travis-ci.com/) it is possible to build and upload installable packages to the -[conda-forge](https://anaconda.org/conda-forge) [Anaconda-Cloud](https://anaconda.org/) +[conda-forge](https://anaconda.org/conda-forge) [anaconda.org](https://anaconda.org/) channel for Linux, Windows and OSX respectively. To manage the continuous integration and simplify feedstock maintenance diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 24e8e9c4..c018c113 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,5 +1,5 @@ {% set name = "openmm" %} -{% set version = "8.1.0rc1" %} +{% set version = "8.1.0rc2" %} {% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] @@ -10,7 +10,7 @@ package: source: git_url: https://github.com/openmm/{{ name }}.git - git_rev: "31abb2f" + git_rev: "43f571d" build: number: {{ build }} From 1d7eee62f82966e51b32f978ed6c25da5e49dc5e Mon Sep 17 00:00:00 2001 From: peastman Date: Sun, 26 Nov 2023 16:17:31 -0800 Subject: [PATCH 20/23] Build 8.1 --- recipe/conda_build_config.yaml | 2 +- recipe/meta.yaml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/recipe/conda_build_config.yaml b/recipe/conda_build_config.yaml index c266cc4c..75dcb2d9 100644 --- a/recipe/conda_build_config.yaml +++ b/recipe/conda_build_config.yaml @@ -2,6 +2,6 @@ opencl_impl: # [osx] - apple # [osx] - khronos # [osx] channel_targets: -- conda-forge openmm_rc +- conda-forge main MACOSX_SDK_VERSION: # [osx and x86_64] - "10.12" # [osx and x86_64] diff --git a/recipe/meta.yaml b/recipe/meta.yaml index c018c113..acea4216 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,5 +1,5 @@ {% set name = "openmm" %} -{% set version = "8.1.0rc2" %} +{% set version = "8.1.0" %} {% set build = 0 %} {% set with_test_suite = "false" %} #{% set with_test_suite = "true" %} # [(osx and arm64)] From 913c38227077266cd348b47f9bb6f22515658927 Mon Sep 17 00:00:00 2001 From: "conda-forge-webservices[bot]" <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Date: Mon, 27 Nov 2023 00:20:53 +0000 Subject: [PATCH 21/23] MNT: Re-rendered with conda-build 3.27.0, conda-smithy 3.30.0, and conda-forge-pinning 2023.11.26.16.08.11 --- ...version10numpy1.22python3.10.____cpython.yaml | 2 +- ..._version10numpy1.22python3.8.____cpython.yaml | 2 +- ..._version10numpy1.22python3.9.____73_pypy.yaml | 2 +- ..._version10numpy1.22python3.9.____cpython.yaml | 2 +- ...version10numpy1.23python3.11.____cpython.yaml | 2 +- ...version10numpy1.26python3.12.____cpython.yaml | 2 +- ...version12numpy1.22python3.10.____cpython.yaml | 2 +- ..._version12numpy1.22python3.8.____cpython.yaml | 2 +- ..._version12numpy1.22python3.9.____73_pypy.yaml | 2 +- ..._version12numpy1.22python3.9.____cpython.yaml | 2 +- ...version12numpy1.23python3.11.____cpython.yaml | 2 +- ...version12numpy1.26python3.12.____cpython.yaml | 2 +- ...version10numpy1.22python3.10.____cpython.yaml | 2 +- ..._version10numpy1.22python3.8.____cpython.yaml | 2 +- ..._version10numpy1.22python3.9.____73_pypy.yaml | 2 +- ..._version10numpy1.22python3.9.____cpython.yaml | 2 +- ...version10numpy1.23python3.11.____cpython.yaml | 2 +- ...version10numpy1.26python3.12.____cpython.yaml | 2 +- ...version12numpy1.22python3.10.____cpython.yaml | 2 +- ..._version12numpy1.22python3.8.____cpython.yaml | 2 +- ..._version12numpy1.22python3.9.____73_pypy.yaml | 2 +- ..._version12numpy1.22python3.9.____cpython.yaml | 2 +- ...version12numpy1.23python3.11.____cpython.yaml | 2 +- ...version12numpy1.26python3.12.____cpython.yaml | 2 +- ...version12numpy1.22python3.10.____cpython.yaml | 2 +- ..._version12numpy1.22python3.8.____cpython.yaml | 2 +- ..._version12numpy1.22python3.9.____73_pypy.yaml | 2 +- ..._version12numpy1.22python3.9.____cpython.yaml | 2 +- ...version12numpy1.23python3.11.____cpython.yaml | 2 +- ...version12numpy1.26python3.12.____cpython.yaml | 2 +- ...22opencl_implapplepython3.10.____cpython.yaml | 2 +- ....22opencl_implapplepython3.8.____cpython.yaml | 2 +- ....22opencl_implapplepython3.9.____73_pypy.yaml | 2 +- ....22opencl_implapplepython3.9.____cpython.yaml | 2 +- ...opencl_implkhronospython3.10.____cpython.yaml | 2 +- ...2opencl_implkhronospython3.8.____cpython.yaml | 2 +- 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| 2 +- ...ersion11.2numpy1.22python3.9.____73_pypy.yaml | 2 +- ...ersion11.2numpy1.22python3.9.____cpython.yaml | 2 +- ...rsion11.2numpy1.23python3.11.____cpython.yaml | 2 +- ...rsion11.2numpy1.26python3.12.____cpython.yaml | 2 +- .scripts/build_steps.sh | 6 +++--- .scripts/run_osx_build.sh | 6 +++--- .scripts/run_win_build.bat | 4 ++-- README.md | 16 ++++++++-------- 62 files changed, 74 insertions(+), 74 deletions(-) diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml index 4651e255..f7c961c7 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml index 656c92ff..ab3018fc 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml index 44ec1bb2..92750284 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml index 13645f44..40ca9da6 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml index 2a44532d..c08a4a36 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml index 9c497a8a..a8a53d65 100644 --- a/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version10cuda_compilernvcccuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml index 29760b4d..3eb2cbf3 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 274d64a7..52deb683 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml index e16f9237..5e1a99b2 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml index f812a967..be557d91 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml index f9dbe97b..070b184f 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml index 2cc1d3c4..8f536bb0 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -7,7 +7,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - cuda-nvcc cuda_compiler_version: diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml index b558cd86..619d385d 100644 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '11.2' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml index 4a84f34f..8f6bbafd 100644 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '11.2' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml index 2bc3e639..1b6e0eef 100644 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____73_pypy.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '11.2' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml index d25d20bb..5f7dd81c 100644 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.22python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '11.2' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml index 4645032f..5da3d7f8 100644 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.23python3.11.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '11.2' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml index 8c829358..8a68cd68 100644 --- a/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version10cuda_compiler_version11.2cxx_compiler_version10numpy1.26python3.12.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '11.2' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml index e826adc4..573787a4 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '12.0' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 90b94a77..c97158fe 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '12.0' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml index 0624ec48..53c0f0a0 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '12.0' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml index cb024cc9..ff2fe70c 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '12.0' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml index 87e73ccd..f43558f5 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '12.0' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml index 764317d7..147331ac 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - '12.0' cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml index 9de154b8..98fd9d3f 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.10.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml index 6eafadcb..b579784b 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.8.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml index cb1c2bf9..7fdf5453 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____73_pypy.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml index 9ac4b2be..de07f3df 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.22python3.9.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml index 51556488..1342e9ac 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.23python3.11.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml index b1951680..6e8fee31 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compiler_versionNonecxx_compiler_version12numpy1.26python3.12.____cpython.yaml @@ -11,7 +11,7 @@ cdt_name: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index 766008c8..5194c5f9 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index af5b87b2..05511150 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml index a413e1ca..36d55ea4 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____73_pypy.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index 430ed0ac..1371ecd1 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index 185b7c7c..581b1932 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index aa4a15a1..488913d6 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml index 515ebe32..a01bc525 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____73_pypy.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index de9321f7..0a7f60fa 100644 --- a/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index 11668e84..89f30048 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index f242257b..0e85d338 100644 --- a/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml b/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml index 6e91a336..14428eab 100644 --- a/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.26opencl_implapplepython3.12.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml b/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml index 5b5b128d..0d795dfe 100644 --- a/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml +++ b/.ci_support/osx_64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml @@ -9,7 +9,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml index d3012168..d6bf872d 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.10.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml index ca186c74..17170778 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.8.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml index 50aa9609..cb1d0ec9 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implapplepython3.9.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml index 660f2a87..210340a6 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.10.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml index 8ec8744a..b7b20322 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.8.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml index 53fc772b..8a52d2fa 100644 --- a/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.22opencl_implkhronospython3.9.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml index 7853cc74..c0869377 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implapplepython3.11.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml index 45cda7ad..93f992b7 100644 --- a/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.23opencl_implkhronospython3.11.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml b/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml index 8e3edb2a..c292aa98 100644 --- a/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.26opencl_implapplepython3.12.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml b/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml index a8dfe1da..098da491 100644 --- a/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml +++ b/.ci_support/osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython.yaml @@ -7,7 +7,7 @@ c_compiler_version: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler_version: - None cxx_compiler: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml index 51de48a5..12bdc623 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.10.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml index 78bf3b2e..8d3209d4 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.8.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml index 560021b5..7bb8dd15 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____73_pypy.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml index f1e756d1..bee35453 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.22python3.9.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml index b3653c01..f16ac6ff 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.23python3.11.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml index 85212a1d..7b87f0e2 100644 --- a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython.yaml @@ -3,7 +3,7 @@ c_compiler: channel_sources: - conda-forge channel_targets: -- conda-forge openmm_rc +- conda-forge main cuda_compiler: - nvcc cuda_compiler_version: diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index 064e539a..eba1dfdb 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -34,9 +34,9 @@ CONDARC export CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1 mamba install --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build conda-forge-ci-setup=4 + pip mamba conda-build boa conda-forge-ci-setup=4 mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build conda-forge-ci-setup=4 + pip mamba conda-build boa conda-forge-ci-setup=4 # set up the condarc setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" @@ -74,7 +74,7 @@ if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then # Drop into an interactive shell /bin/bash else - conda build "${RECIPE_ROOT}" -m "${CI_SUPPORT}/${CONFIG}.yaml" \ + conda mambabuild "${RECIPE_ROOT}" -m "${CI_SUPPORT}/${CONFIG}.yaml" \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ --clobber-file "${CI_SUPPORT}/clobber_${CONFIG}.yaml" \ --extra-meta flow_run_id="${flow_run_id:-}" remote_url="${remote_url:-}" sha="${sha:-}" diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index 46ab346d..9259eb93 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -26,9 +26,9 @@ export CONDA_SOLVER="libmamba" export CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1 mamba install --update-specs --quiet --yes --channel conda-forge --strict-channel-priority \ - pip mamba conda-build conda-forge-ci-setup=4 + pip mamba conda-build boa conda-forge-ci-setup=4 mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel-priority \ - pip mamba conda-build conda-forge-ci-setup=4 + pip mamba conda-build boa conda-forge-ci-setup=4 @@ -81,7 +81,7 @@ else EXTRA_CB_OPTIONS="${EXTRA_CB_OPTIONS:-} --no-test" fi - conda build ./recipe -m ./.ci_support/${CONFIG}.yaml \ + conda mambabuild ./recipe -m ./.ci_support/${CONFIG}.yaml \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ --clobber-file ./.ci_support/clobber_${CONFIG}.yaml \ --extra-meta flow_run_id="$flow_run_id" remote_url="$remote_url" sha="$sha" diff --git a/.scripts/run_win_build.bat b/.scripts/run_win_build.bat index 5b2b8492..7d2fdd6b 100755 --- a/.scripts/run_win_build.bat +++ b/.scripts/run_win_build.bat @@ -24,7 +24,7 @@ set "CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1" :: Provision the necessary dependencies to build the recipe later echo Installing dependencies -mamba.exe install "python=3.10" pip mamba conda-build conda-forge-ci-setup=4 -c conda-forge --strict-channel-priority --yes +mamba.exe install "python=3.10" pip mamba conda-build boa conda-forge-ci-setup=4 -c conda-forge --strict-channel-priority --yes if !errorlevel! neq 0 exit /b !errorlevel! :: Set basic configuration @@ -53,7 +53,7 @@ call :end_group :: Build the recipe echo Building recipe -conda.exe build "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables %EXTRA_CB_OPTIONS% +conda.exe mambabuild "recipe" -m .ci_support\%CONFIG%.yaml --suppress-variables %EXTRA_CB_OPTIONS% if !errorlevel! neq 0 exit /b !errorlevel! :: Prepare some environment variables for the upload step diff --git a/README.md b/README.md index f2b567e7..8c07e8d0 100644 --- a/README.md +++ b/README.md @@ -463,14 +463,14 @@ Current release info Installing openmm ================= -Installing `openmm` from the `conda-forge/label/openmm_rc` channel can be achieved by adding `conda-forge/label/openmm_rc` to your channels with: +Installing `openmm` from the `conda-forge` channel can be achieved by adding `conda-forge` to your channels with: ``` -conda config --add channels conda-forge/label/openmm_rc +conda config --add channels conda-forge conda config --set channel_priority strict ``` -Once the `conda-forge/label/openmm_rc` channel has been enabled, `openmm` can be installed with `conda`: +Once the `conda-forge` channel has been enabled, `openmm` can be installed with `conda`: ``` conda install openmm @@ -485,26 +485,26 @@ mamba install openmm It is possible to list all of the versions of `openmm` available on your platform with `conda`: ``` -conda search openmm --channel conda-forge/label/openmm_rc +conda search openmm --channel conda-forge ``` or with `mamba`: ``` -mamba search openmm --channel conda-forge/label/openmm_rc +mamba search openmm --channel conda-forge ``` Alternatively, `mamba repoquery` may provide more information: ``` # Search all versions available on your platform: -mamba repoquery search openmm --channel conda-forge/label/openmm_rc +mamba repoquery search openmm --channel conda-forge # List packages depending on `openmm`: -mamba repoquery whoneeds openmm --channel conda-forge/label/openmm_rc +mamba repoquery whoneeds openmm --channel conda-forge # List dependencies of `openmm`: -mamba repoquery depends openmm --channel conda-forge/label/openmm_rc +mamba repoquery depends openmm --channel conda-forge ``` From b7427db95335a08a73a66f78eb1c59fe3f95730a Mon Sep 17 00:00:00 2001 From: "conda-forge-webservices[bot]" <91080706+conda-forge-webservices[bot]@users.noreply.github.com> Date: Mon, 27 Nov 2023 04:07:09 +0000 Subject: [PATCH 22/23] MNT: Re-rendered with conda-build 3.27.0, conda-smithy 3.30.0, and conda-forge-pinning 2023.11.26.16.08.11 --- .azure-pipelines/azure-pipelines-linux.yml | 62 ++++++++- .azure-pipelines/azure-pipelines-osx.yml | 2 +- .azure-pipelines/azure-pipelines-win.yml | 26 +++- ...sion11numpy1.26python3.12.____cpython.yaml | 39 ++++++ ...sion11numpy1.26python3.12.____cpython.yaml | 40 ++++++ ...on11.8numpy1.26python3.12.____cpython.yaml | 27 ++++ .scripts/build_steps.sh | 2 +- .scripts/run_osx_build.sh | 1 + README.md | 128 +++++++++++++++++- 9 files changed, 322 insertions(+), 5 deletions(-) create mode 100644 .ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml create mode 100644 .ci_support/linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml create mode 100644 .ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython.yaml diff --git a/.azure-pipelines/azure-pipelines-linux.yml b/.azure-pipelines/azure-pipelines-linux.yml index b952271e..0c08ac16 100755 --- a/.azure-pipelines/azure-pipelines-linux.yml +++ b/.azure-pipelines/azure-pipelines-linux.yml @@ -38,6 +38,36 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 SHORT_CONFIG: linux_64_c_compiler_version10cuda_c_hc8bed6ac64 + ? linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython + : CONFIG: linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_64_c_compiler_version11cuda_c_hdea4f6718f + ? linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython + : CONFIG: linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_64_c_compiler_version11cuda_c_h6d5dd1a9fc + ? linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy + : CONFIG: linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_64_c_compiler_version11cuda_c_h97fe177015 + ? linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython + : CONFIG: linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_64_c_compiler_version11cuda_c_hc923f17610 + ? linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython + : CONFIG: linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_64_c_compiler_version11cuda_c_h0f9aeaedc7 + ? linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython + : CONFIG: linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_64_c_compiler_version11cuda_c_h2d2962c827 ? linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython : CONFIG: linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -98,6 +128,36 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.2 SHORT_CONFIG: linux_aarch64_c_compiler_version10c_h8246e5e9d2 + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython: + CONFIG: linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_aarch64_c_compiler_version11c_h082d87b6d7 + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython: + CONFIG: linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_aarch64_c_compiler_version11c_h52051a04c2 + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy: + CONFIG: linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_aarch64_c_compiler_version11c_h85099a1ce2 + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython: + CONFIG: linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_aarch64_c_compiler_version11c_h08456033b8 + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython: + CONFIG: linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_aarch64_c_compiler_version11c_h959a4c5d51 + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython: + CONFIG: linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cuda:11.8 + SHORT_CONFIG: linux_aarch64_c_compiler_version11c_h50f64d04f6 linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython: CONFIG: linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython UPLOAD_PACKAGES: 'True' @@ -158,7 +218,7 @@ jobs: UPLOAD_PACKAGES: 'True' DOCKER_IMAGE: quay.io/condaforge/linux-anvil-cos7-x86_64 SHORT_CONFIG: linux_aarch64_c_compiler_version12c_h95ec86a677 - maxParallel: 26 + maxParallel: 28 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-osx.yml b/.azure-pipelines/azure-pipelines-osx.yml index d1ea4a38..a9779b96 100755 --- a/.azure-pipelines/azure-pipelines-osx.yml +++ b/.azure-pipelines/azure-pipelines-osx.yml @@ -96,7 +96,7 @@ jobs: CONFIG: osx_arm64_numpy1.26opencl_implkhronospython3.12.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: osx_arm64_numpy1.26opencl_implkhron_hfa3c7f18f5 - maxParallel: 19 + maxParallel: 14 timeoutInMinutes: 360 steps: diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index ec25cfe4..61e507dd 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -32,7 +32,31 @@ jobs: CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.2numpy1.26python3.12.____cpython UPLOAD_PACKAGES: 'True' SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h3d2cc50094 - maxParallel: 5 + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h82f22d9b2c + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.8.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.8.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_hb807bf0559 + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____73_pypy: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____73_pypy + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h05f891a9f7 + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_hfc9e120a9c + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.23python3.11.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.23python3.11.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h8be27f826d + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython: + CONFIG: win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython + UPLOAD_PACKAGES: 'True' + SHORT_CONFIG: win_64_cuda_compilernvcccuda_compil_h7c89bdb50c + maxParallel: 8 timeoutInMinutes: 360 variables: CONDA_BLD_PATH: D:\\bld\\ diff --git a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..66683cee --- /dev/null +++ b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,39 @@ +c_compiler: +- gcc +c_compiler_version: +- '11' +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge main +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.8' +cxx_compiler: +- gxx +cxx_compiler_version: +- '11' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.8 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- linux-64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml b/.ci_support/linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..b42b3a97 --- /dev/null +++ b/.ci_support/linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,40 @@ +BUILD: +- aarch64-conda_cos7-linux-gnu +c_compiler: +- gcc +c_compiler_version: +- '11' +cdt_arch: +- aarch64 +cdt_name: +- cos7 +channel_sources: +- conda-forge +channel_targets: +- conda-forge main +cuda_compiler_version: +- '11.8' +cxx_compiler: +- gxx +cxx_compiler_version: +- '11' +docker_image: +- quay.io/condaforge/linux-anvil-cuda:11.8 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- linux-aarch64 +zip_keys: +- - c_compiler_version + - cxx_compiler_version + - cuda_compiler_version + - cdt_name + - docker_image +- - python + - numpy diff --git a/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython.yaml b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython.yaml new file mode 100644 index 00000000..14338abd --- /dev/null +++ b/.ci_support/win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython.yaml @@ -0,0 +1,27 @@ +c_compiler: +- vs2019 +channel_sources: +- conda-forge +channel_targets: +- conda-forge main +cuda_compiler: +- nvcc +cuda_compiler_version: +- '11.8' +cxx_compiler: +- vs2019 +numpy: +- '1.26' +pin_run_as_build: + python: + min_pin: x.x + max_pin: x.x +python: +- 3.12.* *_cpython +target_platform: +- win-64 +zip_keys: +- - cuda_compiler + - cuda_compiler_version +- - python + - numpy diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index 1e241d74..eba1dfdb 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -74,7 +74,7 @@ if [[ "${BUILD_WITH_CONDA_DEBUG:-0}" == 1 ]]; then # Drop into an interactive shell /bin/bash else - conda build "${RECIPE_ROOT}" -m "${CI_SUPPORT}/${CONFIG}.yaml" \ + conda mambabuild "${RECIPE_ROOT}" -m "${CI_SUPPORT}/${CONFIG}.yaml" \ --suppress-variables ${EXTRA_CB_OPTIONS:-} \ --clobber-file "${CI_SUPPORT}/clobber_${CONFIG}.yaml" \ --extra-meta flow_run_id="${flow_run_id:-}" remote_url="${remote_url:-}" sha="${sha:-}" diff --git a/.scripts/run_osx_build.sh b/.scripts/run_osx_build.sh index 81ddbd36..9259eb93 100755 --- a/.scripts/run_osx_build.sh +++ b/.scripts/run_osx_build.sh @@ -31,6 +31,7 @@ mamba update --update-specs --yes --quiet --channel conda-forge --strict-channel pip mamba conda-build boa conda-forge-ci-setup=4 + echo -e "\n\nSetting up the condarc and mangling the compiler." setup_conda_rc ./ ./recipe ./.ci_support/${CONFIG}.yaml diff --git a/README.md b/README.md index fdde672e..46a494ab 100644 --- a/README.md +++ b/README.md @@ -81,6 +81,48 @@ Current build status variant + + linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython + + + variant + + + + linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython + + + variant + + + + linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy + + + variant + + + + linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython + + + variant + + + + linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython + + + variant + + + + linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython + + + variant + + linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython @@ -165,6 +207,48 @@ Current build status variant + + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.10.____cpython + + + variant + + + + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.8.____cpython + + + variant + + + + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____73_pypy + + + variant + + + + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.22python3.9.____cpython + + + variant + + + + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.23python3.11.____cpython + + + variant + + + + linux_aarch64_c_compiler_version11cuda_compiler_version11.8cxx_compiler_version11numpy1.26python3.12.____cpython + + + variant + + linux_aarch64_c_compiler_version12cuda_compiler_version12.0cxx_compiler_version12numpy1.22python3.10.____cpython @@ -445,6 +529,48 @@ Current build status variant + + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.10.____cpython + + + variant + + + + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.8.____cpython + + + variant + + + + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____73_pypy + + + variant + + + + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.22python3.9.____cpython + + + variant + + + + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.23python3.11.____cpython + + + variant + + + + win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython + + + variant + + @@ -526,7 +652,7 @@ available continuous integration services. Thanks to the awesome service provide [CircleCI](https://circleci.com/), [AppVeyor](https://www.appveyor.com/), [Drone](https://cloud.drone.io/welcome), and [TravisCI](https://travis-ci.com/) it is possible to build and upload installable packages to the -[conda-forge](https://anaconda.org/conda-forge) [Anaconda-Cloud](https://anaconda.org/) +[conda-forge](https://anaconda.org/conda-forge) [anaconda.org](https://anaconda.org/) channel for Linux, Windows and OSX respectively. To manage the continuous integration and simplify feedstock maintenance From 1cbcc56cb22c489b3557eed65548edd45da42422 Mon Sep 17 00:00:00 2001 From: peastman Date: Mon, 27 Nov 2023 08:28:09 -0800 Subject: [PATCH 23/23] Force rebuild