Add note about singularities for polarTheta and polarPhi #2234
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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: | |
| gromacs-2024: | |
| name: GROMACS (release-2024) | |
| uses: ./.github/workflows/backend-template.yml | |
| with: | |
| backend_name: GROMACS-2024 | |
| backend_repo: gromacs/gromacs | |
| backend_repo_ref: release-2024 | |
| 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 |