Add semicore for PseudoDojo/0.4/PBEsol/FR/standard/upf
#133
Workflow file for this run
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| name: Continuous Integration | |
| on: [push, pull_request] | |
| jobs: | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Cache python dependencies | |
| id: cache-pip | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/.cache/pip | |
| key: pip-pre-commit-${{ hashFiles('**/pyproject.toml') }} | |
| restore-keys: pip-pre-commit- | |
| - name: Set up Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.12" | |
| - name: Install dependencies | |
| run: pip install -e .[pre-commit,tests,analysis,dev] | |
| - name: Run pre-commit | |
| run: pre-commit run --all-files || ( git status --short; git diff; exit 1 ) | |
| tests: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ["3.9", "3.10", "3.11", "3.12"] | |
| services: | |
| postgres: | |
| image: postgres:12 | |
| ports: | |
| - 5432:5432 | |
| rabbitmq: | |
| image: rabbitmq:latest | |
| ports: | |
| - 5672:5672 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Cache python dependencies | |
| id: cache-pip | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/.cache/pip | |
| key: pip-tests-${{ matrix.python-version }}-${{ hashFiles('**/pyproject.toml') }} | |
| restore-keys: pip-tests-${{ matrix.python-version }} | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install python dependencies | |
| run: pip install -e .[tests] | |
| - name: Run pytest | |
| run: pytest --cov=aiida_wannier90_workflows --cov-report=xml -sv | |
| working-directory: tests | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| # secrets and env are not accessible for PR from fork, therefore codecov | |
| # would fail during tests. Now ignore failed codecov upload in PR, they | |
| # will be uploaded during the test on main branch after PR merge. | |
| fail_ci_if_error: false | |
| verbose: true | |
| working-directory: tests | |
| docs: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ["3.9"] | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v3 | |
| - name: Cache Python dependencies | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/.cache/pip | |
| key: pip-docs-${{ matrix.python-version }}-${{ hashFiles('**/pyproject.toml') }} | |
| restore-keys: pip-docs-${{ matrix.python-version }} | |
| - name: Set up Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install the python project | |
| run: pip install -e .[docs] | |
| - name: Build documentation | |
| env: | |
| READTHEDOCS: "True" | |
| run: SPHINXOPTS='-nW' make -C docs html | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: doc-build | |
| path: docs/build/html |