Renaming #164
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| # This workflow will install Python dependencies, run tests and lint with a variety of Python versions | |
| # For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions | |
| name: tests | |
| on: | |
| push: | |
| branches: [ "main" ] | |
| paths: | |
| - src/moldrug/** | |
| - .github/workflows/tests.yml | |
| - tests/** | |
| - pyproject.toml | |
| - setup.cfg | |
| - setup.py | |
| pull_request: | |
| branches: [ "main" ] | |
| paths: | |
| - moldrug/** | |
| - .github/workflows/tests.yml | |
| - tests/** | |
| - pyproject.toml | |
| - setup.cfg | |
| - setup.py | |
| jobs: | |
| build: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macOS-latest] #windows-latest (vina is not available for windows in conda-forge),m think about use bioconda autodock-vina | |
| python-version: [3.8, 3.9, '3.10', 3.11] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Get AutoDock-Vina | |
| run: | | |
| python tests/get_vina.py | |
| - name: Install pip dependencies and moldrug on dev mode | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install flake8 | |
| python -m pip install -e .[dev] | |
| python -m pip install pytest-cov | |
| - name: Lint with flake8 | |
| run: | | |
| # stop the build if there are Python syntax errors or undefined names | |
| flake8 src/moldrug --count --select=E9,F63,F7,F82 --show-source --statistics | |
| # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide | |
| flake8 src/moldrug --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics | |
| echo after "Lint with flake8" My python version is actually: $(python --version). | |
| - name: Test with pytest | |
| run: | | |
| pytest tests --cov moldrug --cov-report xml | |
| - name: Run codacy-coverage-reporter | |
| uses: codacy/codacy-coverage-reporter-action@v1 | |
| if: matrix.os == 'ubuntu-latest' && matrix.python-version == '3.9' | |
| with: | |
| project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} | |
| coverage-reports: coverage.xml |