Updates continued #76
Workflow file for this run
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| name: CI | |
| on: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| branches: [main] | |
| jobs: | |
| # ── Linux: full suite including PySCF-dependent tests ───────────────────── | |
| test-linux: | |
| name: Tests (ubuntu-latest, Python ${{ matrix.python-version }}) | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.9", "3.10", "3.11"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: pip | |
| - name: Install package and dev dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install -e ".[pyscf,ase,dev]" | |
| - name: Run tests (skip network tests) | |
| run: | | |
| pytest -m "not network" \ | |
| --cov=quantui \ | |
| --cov-report=term-missing \ | |
| --cov-report=xml \ | |
| --no-header -q | |
| - name: Upload coverage to Codecov | |
| if: matrix.python-version == '3.11' | |
| uses: codecov/codecov-action@v4 | |
| with: | |
| files: coverage.xml | |
| fail_ci_if_error: false | |
| # ── Windows: non-PySCF tests only (PySCF requires Linux/WSL) ────────────── | |
| test-windows: | |
| name: Tests (windows-latest, Python 3.11) | |
| runs-on: windows-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.11 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.11" | |
| cache: pip | |
| - name: Install package and dev dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install -e ".[ase,dev]" | |
| - name: Run non-PySCF tests | |
| # PySCF tests are skipped automatically via skipif guards when pyscf | |
| # is not installed. network tests also skipped. | |
| # Single line: PowerShell does not support backslash line continuation. | |
| run: pytest -m "not network" --ignore=tests/test_session_calc.py --ignore=tests/test_optimizer.py --ignore=tests/test_preopt.py --no-cov --no-header -q | |
| # ── Lint / type-check ───────────────────────────────────────────────────── | |
| lint: | |
| name: Lint & type check | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.11 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.11" | |
| cache: pip | |
| - name: Install pre-commit | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install pre-commit | |
| - name: Run pre-commit (black + ruff + mypy) | |
| run: pre-commit run --all-files |