Py314 #502
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: CI | |
| on: | |
| push: | |
| branches: | |
| - master | |
| - next2024 | |
| - next2025 | |
| pull_request: | |
| branches: | |
| - master | |
| - next2024 | |
| - next2025 | |
| schedule: | |
| - cron: "9 16 * * 1" | |
| jobs: | |
| test: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.9", "3.10", "3.11", "3.12", "3.13", "3.14.0-rc.3"] | |
| pydantic-version: ["2"] | |
| runs-on: [ubuntu-latest, windows-latest] | |
| name: "🐍 ${{ matrix.python-version }} • ${{ matrix.pydantic-version }} • ${{ matrix.runs-on }}" | |
| runs-on: ${{ matrix.runs-on }} | |
| steps: | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Checkout Code | |
| uses: actions/checkout@v4 | |
| - name: Install pydantic for py314 | |
| if: matrix.python-version == '3.14.0-rc.3' | |
| run: pip install pydantic==2.12.0b1 | |
| - name: Install QCElemental (full deps) | |
| if: matrix.python-version != '3.10' && matrix.python-version != '3.12' && matrix.python-version != '3.14.0-rc.3' | |
| run: pip install '.[test,viz,align,standard]' | |
| - name: Install QCElemental (min deps) | |
| if: matrix.python-version == '3.10' || matrix.python-version == '3.12' || matrix.python-version == '3.14.0-rc.3' | |
| run: pip install '.[test]' | |
| - name: Run tests | |
| run: pytest -rws -v --cov=qcelemental --color=yes --cov-report=xml #-k "not pubchem_multiout_g" | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v5 | |
| - name: QCSchema Examples Deploy | |
| uses: JamesIves/github-pages-deploy-action@v4 | |
| #if: github.event_name == 'push' && github.repository == 'MolSSI/QCElemental' && ( startsWith( github.ref, 'refs/tags/' ) || github.ref == 'refs/heads/master' ) | |
| if: false | |
| with: | |
| branch: qcschema-examples | |
| folder: qcelemental/tests/qcschema_instances | |
| build_documentation: | |
| needs: [test] | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v4 | |
| name: Set up Python | |
| with: | |
| python-version: "3.10" | |
| - name: Setup Graphviz | |
| uses: ts-graphviz/setup-graphviz@v2 | |
| - name: Install repo | |
| run: pip install '.[docs]' | |
| - name: Build Documentation | |
| run: sphinx-build docs/ build/docs | |
| - name: GitHub Pages Deploy | |
| uses: JamesIves/github-pages-deploy-action@v4 | |
| if: github.event_name == 'push' && github.repository == 'MolSSI/QCElemental' && ( startsWith( github.ref, 'refs/tags/' ) || github.ref == 'refs/heads/master' ) | |
| with: | |
| branch: gh-pages | |
| folder: build/docs/ |