CI #1793
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: CI | |
| on: | |
| push: | |
| branches: | |
| - "master" | |
| pull_request: | |
| branches: | |
| - "master" | |
| schedule: | |
| # Nightly tests run on master by default: | |
| # Scheduled workflows run on the latest commit on the default or base branch. | |
| # (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule) | |
| - cron: "0 0 * * *" | |
| jobs: | |
| unix: | |
| runs-on: ${{ matrix.os }} | |
| name: ${{ matrix.name }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - name: Linux (CUDA 11.8, Python 3.10, PyTorch 2.1) | |
| os: ubuntu-22.04 | |
| cuda-version: "11.8.0" | |
| gcc-version: "10.3.*" | |
| nvcc-version: "11.8" | |
| python-version: "3.10" | |
| pytorch-version: "2.1.*" | |
| - name: MacOS (Python 3.11, PyTorch 2.4) | |
| os: macos-latest | |
| cuda-version: "" | |
| gcc-version: "" | |
| nvcc-version: "" | |
| python-version: "3.11" | |
| pytorch-version: "2.4.*" | |
| steps: | |
| - name: "Check out" | |
| uses: actions/checkout@v2 | |
| - name: "Install CUDA Toolkit on Linux (if needed)" | |
| uses: Jimver/cuda-toolkit@v0.2.15 | |
| with: | |
| cuda: ${{ matrix.cuda-version }} | |
| linux-local-args: '["--toolkit", "--override"]' | |
| if: startsWith(matrix.os, 'ubuntu') | |
| - name: Manage disk space | |
| if: startsWith(matrix.os, 'ubuntu') | |
| run: | | |
| 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/ $d || true | |
| done | |
| sudo apt-get purge -y -f firefox \ | |
| google-chrome-stable \ | |
| microsoft-edge-stable | |
| sudo apt-get autoremove -y >& /dev/null | |
| sudo apt-get autoclean -y >& /dev/null | |
| sudo docker image prune --all --force | |
| df -h | |
| - name: "Install SDK on MacOS (if needed)" | |
| run: source devtools/scripts/install_macos_sdk.sh | |
| if: startsWith(matrix.os, 'macos') | |
| - name: "Update the conda enviroment file" | |
| uses: cschleiden/replace-tokens@v1 | |
| with: | |
| tokenPrefix: '@' | |
| tokenSuffix: '@' | |
| files: devtools/conda-envs/build-${{ matrix.os }}.yml | |
| env: | |
| CUDATOOLKIT_VERSION: ${{ matrix.cuda-version }} | |
| GCC_VERSION: ${{ matrix.gcc-version }} | |
| NVCC_VERSION: ${{ matrix.nvcc-version }} | |
| PYTORCH_VERSION: ${{ matrix.pytorch-version }} | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| name: "Install dependencies with Mamba" | |
| with: | |
| activate-environment: build | |
| environment-file: devtools/conda-envs/build-${{ matrix.os }}.yml | |
| miniforge-variant: Mambaforge | |
| python-version: ${{ matrix.python-version }} | |
| env: | |
| # Override the CUDA detection as the CI hosts don't have NVIDIA drivers | |
| CONDA_OVERRIDE_CUDA: ${{ matrix.nvcc-version }} | |
| - name: "List conda packages" | |
| shell: bash -l {0} | |
| run: conda list | |
| - name: "Configure" | |
| shell: bash -l {0} | |
| run: | | |
| mkdir build | |
| cd build | |
| SHLIB_EXT=".so" | |
| if [[ ${{ matrix.os }} == macos-* ]]; then | |
| SHLIB_EXT=".dylib" | |
| fi | |
| cmake .. \ | |
| -DCMAKE_BUILD_TYPE=Release \ | |
| -DCMAKE_INSTALL_PREFIX=${CONDA_PREFIX} \ | |
| -DOPENMM_DIR=${CONDA_PREFIX} \ | |
| -DTorch_DIR=${CONDA_PREFIX}/lib/python${{ matrix.python-version }}/site-packages/torch/share/cmake/Torch \ | |
| -DNN_BUILD_OPENCL_LIB=ON \ | |
| -DOPENCL_INCLUDE_DIR=${CONDA_PREFIX}/include \ | |
| -DOPENCL_LIBRARY=${CONDA_PREFIX}/lib/libOpenCL${SHLIB_EXT} | |
| - name: "Build" | |
| shell: bash -l {0} | |
| run: | | |
| cd build | |
| make -j2 install | |
| make -j2 PythonInstall | |
| - name: "List plugins" | |
| shell: bash -l {0} | |
| run: | | |
| export LD_LIBRARY_PATH="${CONDA_PREFIX}/lib/python${{ matrix.python-version }}/site-packages/torch/lib:${LD_LIBRARY_PATH}" | |
| python -c "import openmm as mm; print('---Loaded---', *mm.pluginLoadedLibNames, '---Failed---', *mm.Platform.getPluginLoadFailures(), sep='\n')" | |
| - name: "Run C++ test" | |
| shell: bash -l {0} | |
| run: | | |
| export LD_LIBRARY_PATH="${CONDA_PREFIX}/lib/python${{ matrix.python-version }}/site-packages/torch/lib:${LD_LIBRARY_PATH}" | |
| cd build | |
| ctest --output-on-failure --exclude-regex "TestCuda|TestOpenCL" | |
| - name: "Run Python test" | |
| shell: bash -l {0} | |
| run: | | |
| export LD_LIBRARY_PATH="${CONDA_PREFIX}/lib/python${{ matrix.python-version }}/site-packages/torch/lib:${LD_LIBRARY_PATH}" | |
| cd python/tests | |
| pytest --verbose Test* |