Merge pull request #30 from openforcefield/pre-commit-ci-update-config #52
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| name: ci | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| test: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}, OpenMM ${{ matrix.openmm }}, Pydantic ${{ matrix.pydantic-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: ["3.9", "3.9", "3.11"] | |
| pydantic-version: ["1", "2"] | |
| openmm: [true, false] | |
| run-mypy: [false] | |
| exclude: | |
| - python-version: "3.10" | |
| os: macOS-latest | |
| openmm: true | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - name: Install conda environment with OpenMM | |
| if: ${{ matrix.openmm == true }} | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| pydantic=${{ matrix.pydantic-version }} | |
| - name: Install conda environment without OpenMM | |
| if: ${{ matrix.openmm == false }} | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/conda-envs/no_openmm.yaml | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| - name: Install package | |
| run: | | |
| python setup.py develop --no-deps | |
| - name: Environment Information | |
| run: | | |
| conda info | |
| conda list | |
| - name: Run mypy | |
| if: ${{ matrix.run-mypy == true }} | |
| run: | | |
| mypy -p "openff.models" | |
| - name: Run tests | |
| run: | | |
| pytest -v --cov=openff/models --cov-report=xml --color=yes openff/models/tests/ | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} |