Protocols: Update k-point sampling protocols #1
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| name: nightly | |
| on: | |
| schedule: | |
| - cron: '0 0 * * *' # Run every day at midnight | |
| push: | |
| paths: | |
| - '.github/workflows/nightly.yml' | |
| pull_request: | |
| paths: | |
| - '.github/workflows/nightly.yml' | |
| jobs: | |
| tests: | |
| if: github.repository == 'aiidateam/aiida-quantumespresso' # Prevent running the builds on forks as well | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ['3.9', '3.10', '3.11'] | |
| services: | |
| postgres: | |
| image: postgres:12 | |
| rabbitmq: | |
| image: rabbitmq:latest | |
| ports: | |
| - 5672:5672 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Cache Python dependencies | |
| uses: actions/cache@v1 | |
| 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@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install Python dependencies | |
| id: install | |
| run: | | |
| pip install -e .[tests] | |
| pip install git+https://github.com/aiidateam/aiida-core@main#egg=aiida-core[atomic_tools] | |
| - name: Run pytest | |
| id: tests | |
| env: | |
| AIIDA_WARN_v3: 1 | |
| run: pytest -sv tests | |
| - name: Slack notification | |
| if: always() && (steps.install.outcome == 'Failure' || steps.tests.outcome == 'Failure') | |
| uses: rtCamp/action-slack-notify@master | |
| env: | |
| SLACK_WEBHOOK: ${{ secrets.SLACK_WEBHOOK }} | |
| SLACK_ICON: https://www.materialscloud.org/discover/images/0ba0a17d.aiida-logo-128.png | |
| SLACK_USERNAME: aiida-quantumespresso | |
| SLACK_CHANNEL: dev-aiida-qe | |
| SLACK_COLOR: b60205 | |
| SLACK_TITLE: "Nightly build against `aiida-core/main` failed" | |
| SLACK_MESSAGE: "The tests fail with the current version of `aiida-core/main`." |