CI #878
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: | |
| # Run CI on all pushed branches. | |
| branches: "*" | |
| # Run CI on all versioned tags. | |
| tags: "[0-9]+.[0-9]+.[0-9]+" | |
| # Run CI nightly at 03:00 PST (11:00 UTC). | |
| schedule: | |
| - cron: "0 11 * * *" | |
| # Allow maintainers to manually trigger the build. | |
| workflow_dispatch: {} | |
| jobs: | |
| test: | |
| name: Test on py${{ matrix.python-version }}/${{ matrix.os }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: ["3.8", "3.9"] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| # Cache our conda packages. | |
| # More info: https://github.com/conda-incubator/setup-miniconda#caching-packages | |
| - name: Cache conda environment | |
| uses: actions/cache@v2 | |
| env: | |
| # Increase this value to reset cache if environment.yml has not changed | |
| CACHE_NUMBER: 0 | |
| with: | |
| path: ~/conda_pkgs_dir | |
| key: | |
| ${{ runner.os }}-py${{ matrix.python-version }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('environment.yml') }} | |
| # More info on options: https://github.com/conda-incubator/setup-miniconda | |
| - name: Set up Anaconda environment | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| environment-file: environment.yml | |
| channels: psi4,conda-forge,defaults | |
| activate-environment: mdsapt | |
| auto-update-conda: false | |
| auto-activate-base: false | |
| use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly! | |
| # TODO: make pyright happier someday in the future | |
| # - name: Type-check | |
| # shell: bash -l {0} | |
| # run: | | |
| # pyright mdsapt | |
| - name: Run tests | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v ./mdsapt --cov=mdsapt --cov-report=xml | |
| - name: Upload CodeCov | |
| uses: codecov/codecov-action@v2 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} | |
| - name: Install MDSAPT package | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install . --no-deps | |
| conda list | |
| package: | |
| name: Packaging py${{ matrix.python-version }}/${{ matrix.os }} | |
| runs-on: ${{ matrix.os }} | |
| needs: test | |
| if: startsWith(github.ref, 'refs/tags') # only do this on tags | |
| strategy: | |
| fail-fast: true | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: [3.7, 3.8, 3.9] | |
| include: | |
| - os: macOS-latest | |
| output-folder: osx-64 | |
| - os: ubuntu-latest | |
| output-folder: linux-64 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| # Cache our conda packages. | |
| # More info: https://github.com/conda-incubator/setup-miniconda#caching-packages | |
| - name: Cache conda environment | |
| uses: actions/cache@v2 | |
| env: | |
| # Increase this value to reset cache if environment.yml has not changed | |
| CACHE_NUMBER: 0 | |
| with: | |
| path: ~/conda_pkgs_dir | |
| key: | |
| ${{ runner.os }}-py${{ matrix.python-version }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('devtools/deploy/environment.yml') }} | |
| # More info on options: https://github.com/conda-incubator/setup-miniconda | |
| - name: Set up Anaconda environment | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| environment-file: devtools/deploy/environment.yml | |
| channels: psi4,conda-forge | |
| activate-environment: mdsapt-build | |
| auto-update-conda: false | |
| auto-activate-base: false | |
| use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly! | |
| - name: Build MDSAPT conda package | |
| # conda requires this special shell | |
| shell: bash -l {0} | |
| run: conda build -c psi4 -c conda-forge --output-folder . . | |
| - name: Upload MDSAPT conda package | |
| # conda requires this special shell | |
| shell: bash -l {0} | |
| if: startsWith(github.ref, 'refs/tags') # only do this on tags | |
| env: | |
| ANACONDA_API_TOKEN: ${{ secrets.ANACONDA_API_TOKEN }} | |
| run: anaconda upload --label main ${{ matrix.output-folder }}/*.tar.bz2 | |
| verify: | |
| name: Test installing py${{ matrix.python-version }}/${{ matrix.os }} | |
| runs-on: ${{ matrix.os }} | |
| if: startsWith(github.ref, 'refs/tags') # only do this on tags | |
| needs: package | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: [3.7, 3.8, 3.9] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| # More info on options: https://github.com/conda-incubator/setup-miniconda | |
| - name: Create Anaconda environment | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| activate-environment: mdsapt-test | |
| auto-update-conda: false | |
| auto-activate-base: false | |
| - name: Install mdsapt from mdsapt-testing | |
| shell: bash -l {0} | |
| # NOTE: psi4 must be first channel | |
| run: > | |
| conda install -c psi4 -c defaults -c conda-forge -c mdsapt-testing mdsapt | |
| - name: Test importing mdsapt | |
| shell: bash -l {0} | |
| run: > | |
| python3 -c "import mdsapt" | |
| lint-and-format: | |
| # These checks are much faster and don't actually need to install any packages. | |
| name: Run fast checks over code | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Install formatter and linter | |
| run: | | |
| pip install autopep8 pylint | |
| - name: Lint code | |
| run: | | |
| pylint --fail-under=9.5 --disable=E,R mdsapt | |
| - name: Ensure formatting | |
| run: | | |
| autopep8 -r mdsapt --diff --exit-code |