Update for versioningit and stuff #105
Workflow file for this run
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| 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 -l {0} | |
| 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 | |
| conda info | |
| conda list | |
| - name: Test imports | |
| run: | | |
| python -C "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@v3 | |
| - name: Set up Python ${{ needs.environment-config.outputs.stable-python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ needs.environment-config.outputs.stable-python-version }} | |
| - name: Install dependencies | |
| run: | | |
| pip install setuptools cython numpy twine | |
| - name: Build package | |
| run: | | |
| python setup.py sdist | |
| - name: Check package build | |
| run: | | |
| DISTRIBUTION=$(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 |