Attempt documentation profile fix #372
This file contains 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, 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 }} |