Fix: Update FLEUR energy extraction #1832
Workflow file for this run
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| name: ci | |
| on: [push, pull_request] | |
| jobs: | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Install Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.11' | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Update pip and install wheel | |
| run: pip install -U pip wheel | |
| - name: Install Python package and dependencies | |
| run: pip install -e .[all_plugins,docs,pre-commit,tests] | |
| - name: Run pre-commit | |
| run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) | |
| tests: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| strategy: | |
| matrix: | |
| python-version: ['3.9', '3.10', '3.11', '3.12'] | |
| services: | |
| rabbitmq: | |
| image: rabbitmq:latest | |
| ports: | |
| - 5672:5672 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Install Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Update pip and install wheel | |
| run: pip install -U pip wheel | |
| - name: Install Python package and dependencies | |
| run: pip install -e .[all_plugins,tests] | |
| - name: Run pytest | |
| env: | |
| AIIDA_WARN_v3: true | |
| run: pytest -sv -m "not minimal_install" tests | |
| tests-minimal-install: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| strategy: | |
| matrix: | |
| python-version: ['3.9'] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Install Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Install Python package without any extras | |
| run: pip install -e .[tests] | |
| - name: Run pytest | |
| run: pytest -sv tests -m minimal_install |