[pre-commit.ci] pre-commit autoupdate (#161) #434
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: | |
| branches: [master] | |
| tags: | |
| - "v[0-9]+.[0-9]+.[0-9]+*" | |
| pull_request: | |
| jobs: | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4.2.2 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5.3.0 | |
| with: | |
| python-version: "3.9" | |
| - name: Make sure virtualevn>20 is installed, which will yield newer pip and possibility to pin pip version. | |
| run: pip install "virtualenv>20" | |
| - name: Install Tox | |
| run: pip install tox | |
| - name: Run pre-commit in Tox | |
| run: tox -e pre-commit | |
| tests: | |
| name: pytest (Python ${{ matrix.python-version }}, LAMMPS ${{ matrix.lammps-version }}) | |
| timeout-minutes: 30 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - python-version: "3.9" | |
| lammps-version: "2022.06.23" | |
| - python-version: "3.10" | |
| lammps-version: "2022.06.23" | |
| - python-version: "3.11" | |
| lammps-version: "2022.06.23" | |
| runs-on: ubuntu-latest | |
| services: | |
| postgres: | |
| image: postgres:12 | |
| env: | |
| POSTGRES_DB: test_lammps | |
| 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@v4.2.2 | |
| - name: Setup conda | |
| uses: s-weigand/setup-conda@v1.2.3 | |
| with: | |
| # update-conda: true | |
| python-version: ${{ matrix.python-version }} | |
| conda-channels: conda-forge | |
| - name: install lammps | |
| run: conda install -y lammps==${{ matrix.lammps-version }} | |
| - name: Install `jpeg` package | |
| if: matrix.lammps-version == '2021.09.29' | |
| run: conda install -c conda-forge jpeg | |
| - name: Make sure virtualevn>20 is installed, which will yield newer pip and possibility to pin pip version. | |
| run: pip install "virtualenv>20" | |
| - name: Install Tox | |
| run: pip install tox | |
| - name: Run pytest | |
| run: | | |
| tox -e ${{ matrix.python-version }}-aiida_lammps -- tests/ --cov=aiida_lammps --cov-append --cov-report=xml --cov-report=term-missing | |
| - name: Upload to Codecov | |
| if: matrix.python-version == 3.10 | |
| uses: codecov/codecov-action@v4 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| name: pytests-lammps | |
| flags: pytests | |
| fail_ci_if_error: true | |
| # https://github.com/marketplace/actions/alls-green#why | |
| check: # This job does nothing and is only used for the branch protection | |
| if: always() | |
| needs: | |
| - pre-commit | |
| - tests | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Decide whether the needed jobs succeeded or failed | |
| uses: re-actors/alls-green@release/v1 | |
| with: | |
| jobs: ${{ toJSON(needs) }} | |
| publish: | |
| name: Publish to PyPi | |
| needs: [pre-commit, tests] | |
| if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags') | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout source | |
| uses: actions/checkout@v4.2.2 | |
| - name: Set up Python 3.8 | |
| uses: actions/setup-python@v5.3.0 | |
| with: | |
| python-version: "3.8" | |
| - name: install flit | |
| run: | | |
| pip install flit~=3.4 | |
| - name: Build and publish | |
| run: | | |
| flit publish | |
| env: | |
| FLIT_USERNAME: __token__ | |
| FLIT_PASSWORD: ${{ secrets.PYPI_KEY }} |