Feature fixes after PR review #2310
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name: "Backends" | |
on: | |
push: | |
# These jobs call a template workflow `backend-template.yml`, which performs | |
# all the necessary steps to run the regression tests of the backend. | |
# Variables listed under `with` are mandatory, except `test_lib_directory` | |
# and `test_interface_directory`, which are optional. `backend_name` must be | |
# unique, as it is used to identify the cache. | |
# See `backend-template.yml` for more details. | |
env: | |
# Set environment variables to make secrets available to the template steps | |
PULL_NAMD_KEY: secrets.PULL_NAMD_KEY | |
PULL_VMD_KEY: secrets.PULL_VMD_KEY | |
PULL_VMD_PLUGINS_KEY: secrets.PULL_VMD_PLUGINS_KEY | |
jobs: | |
lammps-develop: | |
name: LAMMPS (develop) | |
uses: ./.github/workflows/backend-template.yml | |
with: | |
backend_name: LAMMPS | |
backend_repo: lammps/lammps | |
backend_repo_ref: develop | |
container_name: CentOS9-devel | |
path_compile_script: devel-tools/compile-lammps.sh | |
test_lib_directory: lammps/tests/library | |
test_interface_directory: lammps/tests/interface | |
rpath_exe: install/bin/lmp | |
namd-main: | |
name: NAMD (main) | |
uses: ./.github/workflows/backend-template.yml | |
with: | |
backend_name: NAMD | |
backend_repo: Colvars/namd | |
backend_repo_ref: main | |
path_compile_script: devel-tools/compile-namd.sh | |
test_lib_directory: namd/tests/library | |
test_interface_directory: namd/tests/interface | |
rpath_exe: Linux-x86_64-g++.mpi/namd3 | |
container_name: CentOS9-devel | |
secrets: | |
# Choice of license by UIUC prevents sharing the code, hence the secret | |
private_key: ${{ secrets.PULL_NAMD_KEY }} | |
vmd-cvs: | |
name: VMD | |
uses: ./.github/workflows/backend-template.yml | |
with: | |
backend_name: VMD | |
backend_repo: Colvars/vmd | |
backend_repo_ref: master | |
container_name: CentOS9-devel | |
# Special variable for VMD test case since it's the only one | |
# which needs to checkout 2 repos | |
vmd_plugins_repo: Colvars/vmd-plugins | |
path_compile_script: devel-tools/compile-vmd.sh | |
test_interface_directory: vmd/tests/interface | |
rpath_exe: install/vmd | |
secrets: | |
# Per-repository secret | |
private_key: ${{ secrets.PULL_VMD_KEY }} | |
private_key_vmd_plugins: ${{ secrets.PULL_VMD_PLUGINS_KEY }} | |
gromacs-main: | |
name: GROMACS (main) | |
uses: ./.github/workflows/backend-template.yml | |
with: | |
backend_name: GROMACS-main | |
backend_repo: gromacs/gromacs | |
backend_repo_ref: main | |
container_name: CentOS9-devel | |
path_compile_script: devel-tools/compile-gromacs.sh | |
test_lib_directory: gromacs/tests/library | |
test_interface_directory: gromacs/tests/interface | |
rpath_exe: install/bin/gmx_mpi_d |