Tests against betas #1179
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| name: Tests against betas | |
| on: | |
| schedule: | |
| - cron: "0 3 * * *" | |
| workflow_dispatch: | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| test: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: | |
| - macos-latest | |
| - ubuntu-latest | |
| python-version: | |
| - "3.10" | |
| - "3.11" | |
| - "3.12" | |
| openeye: | |
| - true | |
| - false | |
| env: | |
| OE_LICENSE: ${{ github.workspace }}/oe_license.txt | |
| COV: --cov=openff/interchange --cov-report=xml --cov-config=setup.cfg --cov-append | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - name: Install conda environment | |
| uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| condarc: | | |
| channels: | |
| - openeye/label/rc | |
| - conda-forge/label/openmm_rc | |
| - conda-forge/label/mdtraj_rc | |
| - conda-forge/label/openff-toolkit_rc | |
| - conda-forge/label/openff-interchange_rc | |
| - openeye | |
| - conda-forge | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| - name: Install package | |
| run: | | |
| micromamba remove --force openff-interchange openff-interchange-base | |
| python -m pip install . plugins/ | |
| - name: Install and license OpenEye Toolkits | |
| if: ${{ matrix.openeye == true }} | |
| run: | | |
| micromamba install "openeye-toolkits =2024.1.0" -c openeye | |
| echo "${SECRET_OE_LICENSE}" > ${OE_LICENSE} | |
| python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()" | |
| env: | |
| SECRET_OE_LICENSE: ${{ secrets.OE_LICENSE }} | |
| - name: Run mypy | |
| continue-on-error: true | |
| run: mypy --show-error-codes --namespace-packages -p "openff.interchange" | |
| - name: Run all tests | |
| if: always() | |
| run: python -m pytest -v $COV openff/interchange/ | |
| - name: Codecov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| files: ./coverage.xml |