Ignore lints in history #1390
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| name: tests | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| schedule: | |
| - cron: "0 0 * * *" | |
| jobs: | |
| test: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}, ${{ matrix.toolkits }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: ["ubuntu-latest"] | |
| python-version: ["3.9", "3.10"] | |
| toolkits: ["rdkit_and_openeye", "rdkit"] | |
| env: | |
| OE_LICENSE: ${{ github.workspace }}/oe_license.txt | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Setup Conda Environment | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/conda-envs/test_env_${{ matrix.toolkits }}.yaml | |
| channel-priority: "flexible" | |
| extra-specs: | | |
| python=${{ matrix.python-version }} | |
| - name: License OpenEye | |
| if: ${{ matrix.toolkits != 'rdkit' }} | |
| shell: bash -l {0} | |
| run: | | |
| echo "${SECRET_OE_LICENSE}" > ${OE_LICENSE} | |
| python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()" | |
| env: | |
| SECRET_OE_LICENSE: ${{ secrets.OE_LICENSE }} | |
| - name: Install Package | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install -e . | |
| - name: Conda Environment Information | |
| shell: bash -l {0} | |
| run: | | |
| conda info | |
| conda list | |
| - name: Run Tests | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v --cov=openff openff/recharge/tests/ --cov-report=xml | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: ./coverage.xml | |
| fail_ci_if_error: true |