fix: remove read-only computed descriptor fields from ligand write paths #2191
Workflow file for this run
This file contains hidden or 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: Test Python Code | |
| on: | |
| pull_request: | |
| paths: | |
| - '**/*.py' | |
| - '.github/workflows/**' | |
| - 'sonar-project.properties' | |
| push: | |
| branches: | |
| - main | |
| paths: | |
| - '**/*.py' | |
| - '.github/workflows/**' | |
| - 'sonar-project.properties' | |
| jobs: | |
| sonarcloud: | |
| runs-on: ubuntu-latest | |
| needs: [functionality-tests] | |
| if: always() | |
| steps: | |
| - uses: actions/checkout@v6 | |
| with: | |
| fetch-depth: 0 | |
| - name: Download coverage artifact | |
| uses: actions/download-artifact@v8 | |
| continue-on-error: true | |
| with: | |
| name: coverage-report | |
| - name: SonarCloud Scan | |
| uses: SonarSource/sonarqube-scan-action@v6.0.0 | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| SONAR_TOKEN: ${{ secrets.SONAR_TOKEN }} | |
| code-formatting-syntax-and-docstrings: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v6 | |
| - name: Check code formatting using ruff | |
| uses: astral-sh/ruff-action@v4.0.0 | |
| with: | |
| version: 0.14.7 | |
| args: format --check | |
| - name: Check import order | |
| uses: astral-sh/ruff-action@v4.0.0 | |
| with: | |
| version: 0.14.7 | |
| args: check --select I | |
| - name: Lint | |
| uses: astral-sh/ruff-action@v4.0.0 | |
| with: | |
| version: 0.14.7 | |
| args: check | |
| - name: Install uv | |
| uses: astral-sh/setup-uv@v8.1.0 | |
| with: | |
| version: "0.5.27" | |
| - name: Set up Python | |
| run: uv python install | |
| - name: Install dependencies | |
| run: uv sync --extra test | |
| - name: Check docstrings using interrogate | |
| run: | | |
| if [ $(uv run interrogate -c pyproject.toml -v . -f 100 | grep "FAILED" | wc -l) = 1 ]; then | |
| echo "necessary docstrings missing:" | |
| uv run interrogate -vv -c pyproject.toml --omit-covered-files . -f 100 | |
| exit 1 | |
| fi | |
| functionality-tests: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: true | |
| matrix: | |
| os: [ubuntu-latest, windows-latest] | |
| python-version: ["3.12", "3.13"] | |
| needs: [code-formatting-syntax-and-docstrings] | |
| steps: | |
| - uses: actions/checkout@v6 | |
| - name: Install uv | |
| uses: astral-sh/setup-uv@v8.1.0 | |
| with: | |
| version: "0.5.27" | |
| - name: Set up Python | |
| run: uv python install ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| run: uv sync --extra test --extra tools --extra plots --extra core | |
| - name: "run tests using a mock client" | |
| run: uv run coverage run -m pytest --env local | |
| - name: "test docs with pytest markdown-docs" | |
| run: uv run coverage run --append -m pytest -x docs --env local --markdown-docs --markdown-docs-syntax=superfences | |
| - name: Generate coverage XML | |
| if: matrix.os == 'ubuntu-latest' && matrix.python-version == '3.12' | |
| run: uv run coverage xml | |
| - name: Upload coverage artifact | |
| if: matrix.os == 'ubuntu-latest' && matrix.python-version == '3.12' | |
| uses: actions/upload-artifact@v6 | |
| with: | |
| name: coverage-report | |
| path: coverage.xml | |
| retention-days: 1 |