test-install #187
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| name: test-install | |
| on: | |
| pull_request: | |
| paths: | |
| - environment.yml | |
| - '**/requirements*.txt' | |
| - pyproject.toml | |
| - util/dependency_management.py | |
| - .github/workflows/test-install.yml | |
| branches-ignore: [gh-pages] | |
| schedule: | |
| - cron: 30 02 * * * # nightly build | |
| # 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-latest | |
| timeout-minutes: 5 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python 3.9 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: '3.9' | |
| - name: Install utils/ dependencies | |
| run: pip install -r utils/requirements.txt | |
| - name: Validate | |
| run: | | |
| python ./utils/dependency_management.py check-requirements | |
| python ./utils/dependency_management.py validate-all | |
| resolve-pip-dependencies: | |
| # Check whether the environments defined in the requirements/* files are | |
| # resolvable. | |
| # | |
| # This job should use the planned `pip resolve` command once released: | |
| # https://github.com/pypa/pip/issues/7819 | |
| needs: [validate-dependency-specification] | |
| if: github.repository == 'aiidateam/aiida-core' | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 5 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ['3.9', '3.10', '3.11', '3.12'] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Upgrade pip and setuptools | |
| # Install specific version of setuptools, because 65.6.0 breaks a number of packages, such as numpy | |
| run: | | |
| pip install --upgrade pip | |
| pip install setuptools==65.5.0 | |
| pip --version | |
| - name: Create environment from requirements file. | |
| run: | | |
| pip install -r requirements/requirements-py-${{ matrix.python-version }}.txt | |
| pip freeze | |
| 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-latest | |
| timeout-minutes: 5 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Setup Conda | |
| uses: conda-incubator/setup-miniconda@v2 | |
| 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-latest | |
| timeout-minutes: 15 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| extras: ['', '[atomic_tools,docs,notebook,rest,tests,tui]'] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python 3.9 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: '3.9' | |
| - 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-latest | |
| timeout-minutes: 25 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ['3.9', '3.10', '3.11', '3.12'] | |
| # 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@v2 | |
| - name: Setup Conda | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| channels: conda-forge | |
| # Use mamba because conda is running out of memory | |
| # see https://github.com/conda-incubator/setup-miniconda/issues/274 | |
| - run: | | |
| conda install -n base conda-libmamba-solver | |
| conda config --set solver libmamba | |
| # Temporary workaround: https://github.com/mamba-org/mamba/issues/488 | |
| - run: rm /usr/share/miniconda/pkgs/cache/*.json | |
| - 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 }}." | |
| tests: | |
| needs: [install-with-pip] | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 35 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ['3.9', '3.10', '3.11', '3.12'] | |
| 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@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install system dependencies | |
| run: sudo apt update && sudo apt install postgresql graphviz | |
| - name: Upgrade pip and setuptools | |
| # It is crucial to update `setuptools` or the installation of `pymatgen` can break | |
| # Install specific version of setuptools, because 65.6.0 breaks a number of packages, such as numpy | |
| run: | | |
| pip install --upgrade pip | |
| pip install setuptools==65.5.0 | |
| pip --version | |
| - name: Install aiida-core | |
| run: | | |
| pip install -e .[atomic_tools,docs,notebook,rest,tests,tui] | |
| - run: pip freeze | |
| - name: Setup AiiDA environment | |
| run: .github/workflows/setup.sh | |
| - name: Run test suite | |
| env: | |
| AIIDA_TEST_PROFILE: test_aiida | |
| AIIDA_WARN_v3: 1 | |
| run: pytest --cov aiida --verbose tests -m 'not nightly' | |
| - name: Freeze test environment | |
| run: pip freeze | sed '1d' | tee requirements-py-${{ matrix.python-version }}.txt | |
| # Add python-version specific requirements/ file to the requirements.txt artifact. | |
| # This artifact can be used in the next step to automatically create a pull request | |
| # updating the requirements (in case they are inconsistent with the pyproject.toml file). | |
| - uses: actions/upload-artifact@v1 | |
| with: | |
| name: requirements.txt | |
| path: requirements-py-${{ matrix.python-version }}.txt | |
| # Check whether the requirements/ files are consistent with the dependency specification in the pyproject.toml file. | |
| # If the check fails, warn the user via a comment and try to automatically create a pull request to update the files | |
| # (does not work on pull requests from forks). | |
| check-requirements: | |
| needs: tests | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 5 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python 3.9 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.9 | |
| - name: Install utils/ dependencies | |
| run: pip install -r utils/requirements.txt | |
| - name: Check consistency of requirements/ files | |
| id: check_reqs | |
| continue-on-error: true | |
| run: python ./utils/dependency_management.py check-requirements DEFAULT --no-github-annotate | |
| # | |
| # The following steps are only executed if the consistency check failed. | |
| # | |
| - name: Create commit comment | |
| if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent | |
| uses: peter-evans/commit-comment@v1 | |
| with: | |
| token: ${{ secrets.GITHUB_TOKEN }} | |
| path: pyproject.toml | |
| body: | | |
| The requirements/ files are inconsistent! | |
| # Check out the base branch so that we can prepare the pull request. | |
| - name: Checkout base branch | |
| if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent | |
| uses: actions/checkout@v2 | |
| with: | |
| ref: ${{ github.head_ref }} | |
| clean: true | |
| - name: Download requirements.txt files | |
| if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent | |
| uses: actions/download-artifact@v1 | |
| with: | |
| name: requirements.txt | |
| path: requirements | |
| - name: Commit requirements files | |
| if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent | |
| run: | | |
| git add requirements/* | |
| - name: Create pull request for updated requirements files | |
| if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent | |
| id: create_update_requirements_pr | |
| continue-on-error: true | |
| uses: peter-evans/create-pull-request@v3 | |
| with: | |
| branch: update-requirements | |
| commit-message: Automated update of requirements/ files. | |
| title: Update requirements/ files. | |
| body: | | |
| Update requirements files to ensure that they are consistent | |
| with the dependencies specified in the 'pyproject.toml' file. | |
| Please note, that this pull request was likely created to | |
| resolve the inconsistency for a specific dependency, however | |
| other versions that have changed since the last update will | |
| be included as part of this commit as well. | |
| Click [here](https://github.com/aiidateam/aiida-core/wiki/AiiDA-Dependency-Management) for more information. | |
| - name: Create PR comment on success | |
| if: steps.create_update_requirements_pr.outcome == 'Success' | |
| uses: peter-evans/create-or-update-comment@v1 | |
| with: | |
| issue-number: ${{ github.event.number }} | |
| body: | | |
| I automatically created a pull request (#${{ steps.create_update_requirements_pr.outputs.pr_number }}) that adapts the | |
| requirements/ files according to the dependencies specified in the 'pyproject.toml' file. | |
| - name: Create PR comment on failure | |
| if: steps.create_update_requirements_pr.outcome == 'Failure' | |
| uses: peter-evans/create-or-update-comment@v1 | |
| with: | |
| issue-number: ${{ github.event.number }} | |
| body: | | |
| Please update the requirements/ files to ensure that they | |
| are consistent with the dependencies specified in the 'pyproject.toml' file. |