Add tools property and entrypoint for workflows
#6425
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| name: test-install | |
| on: | |
| pull_request: | |
| paths: | |
| - environment.yml | |
| - pyproject.toml | |
| - util/dependency_management.py | |
| - .github/workflows/test-install.yml | |
| branches-ignore: [gh-pages] | |
| schedule: | |
| - cron: 30 02 * * 0 # weekly build (Sunday) | |
| env: | |
| FORCE_COLOR: 1 | |
| # https://docs.github.com/en/actions/using-jobs/using-concurrency | |
| concurrency: | |
| # only cancel in-progress jobs or runs for the current workflow - matches against branch & tags | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: true | |
| jobs: | |
| validate-dependency-specification: | |
| # Note: The specification is also validated by the pre-commit hook. | |
| if: github.repository == 'aiidateam/aiida-core' | |
| runs-on: ubuntu-24.04 | |
| timeout-minutes: 5 | |
| steps: | |
| - uses: actions/checkout@v6 | |
| - name: Set up Python 3.11 | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: '3.11' | |
| - name: Set up uv | |
| uses: astral-sh/setup-uv@v7.3.1 | |
| with: | |
| version: latest | |
| - name: Install utils/ dependencies | |
| run: uv pip install --system -r utils/requirements.txt | |
| - name: Validate conda environment file | |
| run: python ./utils/dependency_management.py validate-environment-yml | |
| create-conda-environment: | |
| # Verify that we can create a valid conda environment from the environment.yml file. | |
| needs: [validate-dependency-specification] | |
| if: github.repository == 'aiidateam/aiida-core' | |
| runs-on: ubuntu-24.04 | |
| timeout-minutes: 5 | |
| steps: | |
| - uses: actions/checkout@v6 | |
| - name: Setup Conda | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| channels: conda-forge | |
| - run: conda --version | |
| - name: Test conda environment | |
| run: | | |
| conda env create --dry-run -f environment.yml -n test-environment | |
| install-with-pip: | |
| if: github.repository == 'aiidateam/aiida-core' | |
| runs-on: ubuntu-24.04 | |
| timeout-minutes: 15 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| extras: ['', '[atomic_tools,docs,notebook,rest,tests,tui]'] | |
| steps: | |
| - uses: actions/checkout@v6 | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: '3.10' | |
| - name: Pip install | |
| id: pip_install | |
| run: | | |
| python -m pip --version | |
| python -m pip install -e .${{ matrix.extras }} | |
| python -m pip freeze | |
| - name: Test importing aiida | |
| if: steps.pip_install.outcome == 'success' | |
| run: python -c "import aiida" | |
| install-with-conda: | |
| # Verify that we can install AiiDA with conda. | |
| if: github.repository == 'aiidateam/aiida-core' | |
| runs-on: ubuntu-24.04 | |
| timeout-minutes: 25 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ['3.10', '3.11', '3.12', '3.13', '3.14'] | |
| # Not being able to install with conda on a specific Python version is | |
| # not sufficient to fail the run, but something we want to be aware of. | |
| optional: [true] | |
| include: | |
| # Installing with conda without specyfing the Python version should | |
| # not fail since this is advocated as part of the user documentation. | |
| - python-version: '' | |
| optional: false | |
| steps: | |
| - uses: actions/checkout@v6 | |
| - name: Setup Conda | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| channels: conda-forge | |
| - name: Test installation | |
| id: test_installation | |
| continue-on-error: ${{ matrix.optional }} | |
| run: > | |
| conda create --dry-run -n test-install aiida-core | |
| ${{ matrix.python-version && format('python={0}', matrix.python-version) }} | |
| - name: Warn about failure | |
| if: steps.test_installation.outcome == 'Failure' | |
| run: > | |
| echo "::warning ::Failed conda installation for | |
| Python ${{ matrix.python-version }}." | |
| - name: Slack notification | |
| if: >- | |
| failure() && | |
| github.event_name != 'pull_request' && | |
| env.SLACK_WEBHOOK != null | |
| uses: ./.github/actions/slack-notification | |
| env: | |
| SLACK_WEBHOOK: ${{ secrets.SLACK_WEBHOOK }} | |
| with: | |
| title: Installation via Conda failed on `aiida-core/main` | |
| message: '`test-install.yml:install-with-conda` GHA workflow for Python ${{ matrix.python-version }} failed.' | |
| tests: | |
| needs: [install-with-pip] | |
| runs-on: ubuntu-24.04 | |
| timeout-minutes: 45 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ['3.10', '3.11', '3.12', '3.13', '3.14'] | |
| 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:3.8.14-management | |
| ports: | |
| - 5672:5672 | |
| - 15672:15672 | |
| slurm: | |
| image: xenonmiddleware/slurm:17 | |
| ports: | |
| - 5001:22 | |
| steps: | |
| - uses: actions/checkout@v6 | |
| - name: Install system dependencies | |
| run: sudo apt update && sudo apt install postgresql graphviz | |
| - name: Install aiida-core | |
| id: install | |
| uses: ./.github/actions/install-aiida-core | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| extras: atomic_tools,docs,notebook,rest,tests,tui | |
| from-lock: 'false' | |
| - name: Setup AiiDA environment | |
| run: .github/workflows/setup.sh | |
| - name: Run test suite | |
| id: tests | |
| env: | |
| AIIDA_TEST_PROFILE: test_aiida | |
| AIIDA_WARN_v3: 1 | |
| run: | | |
| pytest -n auto --db-backend psql -m 'not nightly' tests/ | |
| - name: Slack notification | |
| # Run this step if any of the previous steps fail. | |
| # Don't run on PRs, the failure is clearly visible in GitHub UI. | |
| # Run only when the `secrets.SLACK_WEBHOOK` is available, which is not the case for forks. | |
| if: >- | |
| failure() && | |
| github.event_name != 'pull_request' && | |
| env.SLACK_WEBHOOK != null | |
| uses: ./.github/actions/slack-notification | |
| env: | |
| SLACK_WEBHOOK: ${{ secrets.SLACK_WEBHOOK }} | |
| with: | |
| title: Install tests of `aiida-core/main` failed | |
| message: '`test-install.yml` GHA workflow for Python ${{ matrix.python-version }} failed.' |