From 75d1e9ad66778cdb4336e462ba56cad7ee7e93eb Mon Sep 17 00:00:00 2001 From: Nicholas Lubbers Date: Thu, 21 Jul 2022 18:48:07 -0600 Subject: [PATCH] update docs and bump version --- README.rst | 2 +- conda_requirements.txt | 1 + docs/source/conf.py | 2 +- docs/source/user_guide/settings.rst | 8 ++++---- optional_dependencies.txt | 3 ++- setup.py | 2 +- 6 files changed, 10 insertions(+), 8 deletions(-) diff --git a/README.rst b/README.rst index 729a3754..df401a65 100644 --- a/README.rst +++ b/README.rst @@ -74,7 +74,7 @@ Notes - Install dependencies with conda from conda_requirements.txt . - If you don't want pip to install them, conda install from file before installing ``hippynn``. You may want to use -c pytorch for the pytorch channel. - For ase, you may want to use -c conda-forge. + For ase and cupy, you probably want to use -c conda-forge. - Optional dependencies are in optional_dependencies.txt diff --git a/conda_requirements.txt b/conda_requirements.txt index 33d98506..b64587dc 100644 --- a/conda_requirements.txt +++ b/conda_requirements.txt @@ -2,6 +2,7 @@ numpy pytorch >= 1.6 matplotlib numba +cupy ase h5py tqdm diff --git a/docs/source/conf.py b/docs/source/conf.py index 897709ea..11614b5b 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -22,7 +22,7 @@ author = "Nicholas Lubbers" # The full version, including alpha/beta/rc tags -release = "0.0.1b1" +release = "0.0.1b2" # -- General configuration --------------------------------------------------- diff --git a/docs/source/user_guide/settings.rst b/docs/source/user_guide/settings.rst index e89c5425..4582c499 100644 --- a/docs/source/user_guide/settings.rst +++ b/docs/source/user_guide/settings.rst @@ -49,11 +49,11 @@ The following settings are available: - .pdf - Yes * - USE_CUSTOM_KERNELS - - | Use custom kernels with numba. + - | Use custom kernels with numba or cupy. | Auto tries to detect the - | installation of numba. + | installation of numba or cupy. | for more info see :doc:`/user_guide/ckernels`. - - auto, true, false + - auto, true, false, pytorch, numba, cupy - auto - Not directly, use :func:`~hippynn.custom_kernels.set_custom_kernels` * - WARN_LOW_DISTANCES @@ -77,4 +77,4 @@ The following settings are available: | is going very wrong. - true, false - false - - no \ No newline at end of file + - no diff --git a/optional_dependencies.txt b/optional_dependencies.txt index 7982ea45..2b99196c 100644 --- a/optional_dependencies.txt +++ b/optional_dependencies.txt @@ -1,6 +1,7 @@ ase numba +cupy matplotlib tqdm graphviz -h5py \ No newline at end of file +h5py diff --git a/setup.py b/setup.py index 0994b493..6d3611de 100644 --- a/setup.py +++ b/setup.py @@ -20,7 +20,7 @@ setuptools.setup( name="hippynn", - version="0.0.1b1", + version="0.0.1b2", author="Nicholas Lubbers et al", author_email="hippynn [AT] lanl (DOT) gov", python_requires=">3.7",