Update for versioningit and stuff #114
Workflow file for this run
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| name: GH Actions CI | |
| on: | |
| push: | |
| branches: | |
| - main | |
| - dev | |
| pull_request: | |
| branches: | |
| - main | |
| - dev | |
| schedule: | |
| - cron: "0 0 * * 0" | |
| concurrency: | |
| group: ${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }} | |
| cancel-in-progress: true | |
| defaults: | |
| run: | |
| shell: bash | |
| jobs: | |
| environment-config: | |
| runs-on: ubuntu-latest | |
| outputs: | |
| stable-python-version: ${{ steps.get_python_version.outputs.python-version }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - id: get-python-version | |
| uses: MDAnalysis/get-latest-python-version@main | |
| with: | |
| last-n-minor-release: 1 | |
| main-tests: | |
| if: "github.repository == 'Becksteinlab/propkatraj'" | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest, windows-latest] | |
| python-version: ["3.9", "3.10", "3.11"] | |
| mdanalysis-version: ["latest", "develop"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| with: | |
| fetch-depth: 0 | |
| - name: Build information | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - name: "Setup Micromamba" | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/environment.yml | |
| environment-name: propkatraj-test | |
| cache-environment: true | |
| cache-downloads: true | |
| create-args: | |
| python=${{ matrix.python-version }} | |
| - name: Install MDAnalysis version | |
| uses: MDAnalysis/install-mdanalysis@main | |
| with: | |
| version: ${{ matrix.mdanalysis-version }} | |
| install-tests: true | |
| installer: micromamba | |
| shell: bash -l {0} | |
| - name: Install package | |
| run: | | |
| python --version | |
| python -m pip install . --no-deps | |
| - name: Python information | |
| run: | | |
| which python | |
| which pip | |
| pip list | |
| micromamba info | |
| micromamba list | |
| - name: Test imports | |
| run: | | |
| python -Ic "import propkatraj; print(propkatraj.__version__)" | |
| - name: Run tests | |
| run: | | |
| pytest -n 2 --cov=propkatraj --cov-report=xml -v --color=yes propkatraj/tests/ | |
| - name: codecov | |
| if: ${{ github.repository == 'Becksteinlab/propkatraj' | |
| && github.event_name != 'schedule' }} | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: coverage.xml | |
| fail_ci_if_error: True | |
| verbose: True | |
| pylint_check: | |
| if: "github.repository == 'Becksteinlab/propkatraj'" | |
| needs: environment-config | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ needs.environment-config.outputs.stable-python-version }} | |
| - name: Install Pylint | |
| run: | | |
| which pip | |
| which python | |
| pip install pylint MDAnalysis>=2.0.0 | |
| - name: Run Pylint | |
| env: | |
| PYLINTRC: .pylintrc | |
| run: | | |
| pylint propkatraj | |
| pypi_check: | |
| if: "github.repository == 'Becksteinlab/propkatraj'" | |
| needs: environment-config | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ needs.environment-config.outputs.stable-python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ needs.environment-config.outputs.stable-python-version }} | |
| - name: Install dependencies | |
| run: | | |
| pip install pipx twine | |
| - name: Build package | |
| run: | | |
| python -m pipx run build --sdist | |
| - name: Check package build | |
| run: | | |
| DISTRIBUTION=$(ls -t1 dist/propkatraj-*.tar.gz | head -n 1) | |
| test -n "${DISTRIBUTION}" || { echo "no distribution dist/propkatraj-*.tar.gz found"; exit 1; } | |
| echo "twine check $DISTRIBUTION" | |
| twine check $DISTRIBUTION |