Package modernization #425
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| name: CI | |
| on: | |
| # GitHub has started calling new repo's first branch "main" https://github.com/github/renaming | |
| # Existing codes likely still have "master" as the primary branch | |
| # Both are tracked here to keep legacy and new codes working | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| schedule: | |
| # Midnight Tuesdays and Fridays | |
| - cron: "0 0 * * 2,5" | |
| concurrency: | |
| # Probably overly cautious group naming. | |
| # Commits to develop/master will cancel each other, but PRs will only cancel | |
| # commits within the same PR | |
| group: "${{ github.ref }}-${{ github.head_ref }}" | |
| cancel-in-progress: true | |
| jobs: | |
| lint: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.9" | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - uses: pre-commit/[email protected] | |
| with: | |
| extra_args: --files solvation_analysis/* | |
| # test: | |
| # name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
| # runs-on: ${{ matrix.os }} | |
| # strategy: | |
| # fail-fast: false | |
| # matrix: | |
| # os: [macOS-latest, ubuntu-latest, windows-latest] | |
| # python-version: [3.9, "3.10", 3.11, 3.12] | |
| # | |
| # steps: | |
| # - uses: actions/checkout@v3 | |
| # | |
| # - name: Additional info about the build | |
| # shell: bash | |
| # run: | | |
| # uname -a | |
| # df -h | |
| # ulimit -a | |
| # | |
| # | |
| # # More info on options: https://github.com/conda-incubator/setup-miniconda | |
| # - uses: conda-incubator/setup-miniconda@v2 | |
| # with: | |
| # python-version: ${{ matrix.python-version }} | |
| # environment-file: devtools/conda-envs/test_env.yaml | |
| # | |
| # channels: conda-forge,defaults | |
| # | |
| # activate-environment: test | |
| # auto-update-conda: false | |
| # auto-activate-base: false | |
| # show-channel-urls: true | |
| # | |
| # - name: Install package | |
| # | |
| # # conda setup requires this special shell | |
| # shell: bash -l {0} | |
| # run: | | |
| # python -m pip install . --no-deps | |
| # conda list | |
| # | |
| # | |
| # - name: Run tests | |
| # | |
| # # conda setup requires this special shell | |
| # shell: bash -l {0} | |
| # | |
| # run: | | |
| # pytest -v --cov=solvation_analysis --cov-report=xml --color=yes solvation_analysis/tests/ | |
| # | |
| # - name: CodeCov | |
| # uses: codecov/codecov-action@v1 | |
| # with: | |
| # file: ./coverage.xml | |
| # flags: unittests | |
| # name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} | |
| test_pip_install: | |
| name: pip (PEP517) install on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest, windows-latest] | |
| python-version: [3.9, "3.10", 3.11, 3.12] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install package | |
| run: | | |
| python -m pip install . | |
| - name: Run tests | |
| run: | | |
| pytest -v --color=yes solvation_analysis/tests/ | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v1 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} |