feat: add saturated fatty acids mol2 file #101
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| name: Tests on push | |
| on: | |
| push: | |
| branches-ignore: [main] # it has its own workflow | |
| paths: | |
| - 'moll/**' | |
| - 'tests/**' | |
| - 'pyproject.toml' | |
| - 'poetry.lock' | |
| - '.github/workflows/**' | |
| jobs: | |
| tests: | |
| runs-on: ubuntu-latest | |
| environment: build | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - run: pipx install 'poetry==${{ vars.TARGET_POETRY_VERSION }}' | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: '${{ vars.TARGET_PYTHON_VERSION }}' | |
| cache: poetry | |
| - run: poetry env use '${{ vars.TARGET_PYTHON_VERSION }}' | |
| - run: poetry install --with cpu,dev | |
| - run: poetry run pytest |