Add descriptors #432
Workflow file for this run
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: | |
| tests: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| strategy: | |
| matrix: | |
| python-version: ['3.9','3.10','3.11','3.12'] | |
| aiida-version: ['stable'] | |
| services: | |
| postgres: | |
| image: postgres:10 | |
| env: | |
| POSTGRES_DB: test_aiida | |
| POSTGRES_PASSWORD: '' | |
| POSTGRES_HOST_AUTH_METHOD: trust | |
| options: >- | |
| --health-cmd pg_isready | |
| --health-interval 10s | |
| --health-timeout 5s | |
| --health-retries 5 | |
| ports: | |
| - 5432:5432 | |
| 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 poetry | |
| run: pipx install poetry | |
| - name: Install python dependencies | |
| run: | | |
| poetry env use ${{ matrix.python-version }} | |
| poetry install --with dev | |
| - name: Run test suite | |
| env: | |
| # show timings of test | |
| PYTEST_ADDOPTS: "--durations=0" | |
| run: poetry run pytest --cov aiida_mlip --cov-append . | |
| - name: Report coverage to Coveralls | |
| uses: coverallsapp/github-action@v2 | |
| with: | |
| parallel: true | |
| flag-name: run-${{ matrix.python-version }} | |
| file: coverage.xml | |
| base-path: aiida_mlip | |
| coverage: | |
| needs: tests | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Close parallel build | |
| uses: coverallsapp/github-action@v2 | |
| with: | |
| parallel-finished: true | |
| docs: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.11 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.11' | |
| - name: Install poetry | |
| run: pipx install poetry | |
| - name: Install python dependencies | |
| run: | | |
| poetry env use 3.11 | |
| poetry install --with docs | |
| - name: Build docs | |
| run: cd docs && poetry run make | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.11 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.11' | |
| - name: Install poetry | |
| run: pipx install poetry | |
| - name: Install python dependencies | |
| run: | | |
| poetry env use 3.11 | |
| poetry install --with pre-commit,docs,dev | |
| - name: Run pre-commit | |
| run: | | |
| poetry run pre-commit install | |
| poetry run pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) |