README #404
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| name: ci | |
| on: [push, pull_request] | |
| jobs: | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.10" | |
| - name: Install python dependencies | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[pre-commit,docs,testing] | |
| - name: Run pre-commit | |
| run: | | |
| pre-commit install | |
| pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) | |
| integration: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ['3.10','3.11'] | |
| services: | |
| postgres: | |
| image: postgres:10 | |
| env: | |
| POSTGRES_HOST: 127.0.0.1 | |
| POSTGRES_USER: postgres | |
| POSTGRES_PASSWORD: postgres | |
| POSTGRES_DB: postgres | |
| ports: | |
| - 5432:5432 | |
| rabbitmq: | |
| image: rabbitmq:latest | |
| ports: | |
| - 5672:5672 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Cache Python dependencies | |
| uses: actions/cache@v4 | |
| with: | |
| path: ~/.cache/pip | |
| key: pip-${{ matrix.python-version }}-tests-${{ hashFiles('**/setup.json') }} | |
| restore-keys: | |
| pip-${{ matrix.python-version }}-tests | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install Python dependencies | |
| run: pip install -e . | |
| - name: Create AiiDA profile | |
| run: verdi setup -n --config .github/config/profile.yaml | |
| - name: Setup localhost | |
| run: verdi computer setup -n --config .github/config/localhost-setup.yaml | |
| - name: Configure localhost | |
| run: verdi computer configure core.local localhost -n --config .github/config/localhost-config.yaml | |
| - name: Setup `aimqb` | |
| run: verdi code create core.code.installed -n --config .github/config/code-aim.yaml --filepath-executable /Applications/AIMAll/AIMQB.app/Contents/MacOS/aimqb | |
| - name: Setup `g16wfx` | |
| run: verdi code create core.code.installed -n --config .github/config/code-gwfx.yaml --filepath-executable /Users/chemlab/Desktop/g16/g16 | |
| - name: Setup groups | |
| run: verdi group create inp_frag | |
| tests: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| strategy: | |
| matrix: | |
| python-version: ["3.10","3.11"] | |
| aiida-version: ["stable"] | |
| services: | |
| postgres: | |
| image: postgres:10 | |
| rabbitmq: | |
| image: rabbitmq:latest | |
| ports: | |
| - 5672:5672 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install python dependencies | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[testing] | |
| pip install subproptools | |
| pip install aiida-submission-controller | |
| pip install group_decomposition | |
| - name: Run test suite | |
| env: | |
| # show timings of tests | |
| PYTEST_ADDOPTS: --durations=0 | |
| COVERALLS_REPO_TOKEN: ${{ secrets.COVERALLS_REPO_TOKEN }} | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| run: | | |
| py.test --cov aiida_aimall --cov-append . | |
| coveralls --service=github | |
| #run: pytest -sv tests | |
| # - name: Upload coverage reports to Codecov | |
| # uses: codecov/codecov-action@v3 | |
| # env: | |
| # CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }} |