CI - nightly branch #346
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| name: CI - nightly branch | |
| on: | |
| workflow_dispatch: | |
| schedule: | |
| # Nightly tests run on main 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: | |
| test: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python }} | |
| runs-on: ${{ matrix.os }} | |
| env: | |
| CCACHE_BASEDIR: "${{ github.workspace }}/openmm" | |
| CCACHE_DIR: "${{ github.workspace }}/openmm/.ccache" | |
| CCACHE_COMPRESS: true | |
| CCACHE_COMPRESSLEVEL: 6 | |
| CCACHE_MAXSIZE: 400M | |
| CMAKE_FLAGS: | | |
| -DOPENMM_BUILD_OPENCL_LIB=OFF \ | |
| -DOPENMM_BUILD_OPENCL_TESTS=OFF \ | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: | |
| - ubuntu-latest | |
| - macos-latest | |
| python: | |
| - 3.7 | |
| steps: | |
| - name: Checkout openmm-cookbook (nightly branch if it exists, default otherwise) | |
| run: | | |
| COOKBOOK_REPO="${GITHUB_SERVER_URL}/${GITHUB_REPOSITORY}.git" | |
| COOKBOOK_DIR="${GITHUB_WORKSPACE}/openmm-cookbook" | |
| if git ls-remote --exit-code --heads "${COOKBOOK_REPO}" nightly; then | |
| git clone --branch nightly --depth 1 "${COOKBOOK_REPO}" "${COOKBOOK_DIR}" | |
| else | |
| git clone --depth 1 "${COOKBOOK_REPO}" "${COOKBOOK_DIR}" | |
| fi | |
| - name: Checkout openmm | |
| uses: actions/checkout@v2 | |
| with: | |
| repository: openmm/openmm | |
| path: openmm | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| name: "Prepare openmm dev dependencies" | |
| with: | |
| python-version: ${{ matrix.python }} | |
| activate-environment: build | |
| environment-file: openmm/devtools/ci/gh-actions/conda-envs/build-${{ matrix.os }}.yml | |
| auto-activate-base: false | |
| miniforge-version: latest | |
| miniforge-variant: Mambaforge | |
| use-mamba: true | |
| - name: Install nbval for tests | |
| shell: bash -l {0} | |
| run: mamba install nbval | |
| - name: "Prepare ccache" | |
| id: prepare-ccache | |
| shell: bash -l {0} | |
| run: | | |
| echo "::set-output name=key::$(echo "${{ matrix.name }}" | tr -d ' .')" | |
| echo "::set-output name=timestamp::$(date +%Y%m%d-%H%M%S)" | |
| ccache -p | |
| ccache -z | |
| - name: "Restore ccache" | |
| uses: actions/[email protected] | |
| with: | |
| path: .ccache | |
| key: ccache-${{ secrets.CACHE_VERSION }}-${{ steps.prepare-ccache.outputs.key }}-${{ steps.prepare-ccache.outputs.timestamp }} | |
| restore-keys: | | |
| ccache-${{ secrets.CACHE_VERSION }}-${{ steps.prepare-ccache.outputs.key }}- | |
| - name: "Set SDK on MacOS (if needed)" | |
| if: startsWith(matrix.os, 'macos') | |
| run: source openmm/devtools/ci/gh-actions/scripts/install_macos_sdk.sh | |
| - name: "Configure build with CMake" | |
| shell: bash -l {0} | |
| run: | | |
| mkdir openmm/build | |
| cd openmm/build | |
| cmake .. \ | |
| -DCMAKE_INSTALL_PREFIX=${CONDA_PREFIX} \ | |
| -DCMAKE_PREFIX_PATH=${CONDA_PREFIX} \ | |
| -DCMAKE_C_COMPILER_LAUNCHER=ccache \ | |
| -DCMAKE_CXX_COMPILER_LAUNCHER=ccache \ | |
| ${{ matrix.CMAKE_FLAGS }} | |
| - name: "Build OpenMM" | |
| shell: bash -l {0} | |
| run: | | |
| cd openmm/build | |
| make -j2 install | |
| - name: "Build Python wrappers" | |
| shell: bash -l {0} | |
| run: | | |
| cd openmm/build | |
| make -j2 PythonInstall | |
| - name: "Check ccache performance" | |
| shell: bash -l {0} | |
| run: ccache -s | |
| - name: Run example notebooks | |
| shell: bash -l {0} | |
| # --nbval-lax: Only check output when cell is marked | |
| # https://nbval.readthedocs.io/en/latest/#Using-tags-instead-of-comments | |
| run: | | |
| cd openmm-cookbook | |
| pytest -v --nbval-lax notebooks/cookbook |