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| name: Pipeline | |
| on: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| jobs: | |
| black: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: psf/black@stable | |
| with: | |
| options: "--check --diff" | |
| src: ./${{ github.event.repository.name }} | |
| black_fix: # in most cases pre-commit is faster | |
| needs: [black] | |
| if: failure() | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| token: ${{ secrets.DEPENDABOT_WORKFLOW_TOKEN }} | |
| ref: ${{ github.event.pull_request.head.ref }} # Check out the head of the actual branch, not the PR | |
| fetch-depth: 0 # otherwise, you will fail to push refs to dest repo | |
| - name: format black | |
| uses: psf/black@stable | |
| with: | |
| options: "" | |
| src: "./${{ github.event.repository.name }}" | |
| - name: commit | |
| run: | | |
| git config --local user.email "[email protected]" | |
| git config --local user.name "pyiron-runner" | |
| git commit -m "Format black" -a | |
| - name: push | |
| uses: ad-m/github-push-action@master | |
| with: | |
| github_token: ${{ secrets.DEPENDABOT_WORKFLOW_TOKEN }} | |
| branch: ${{ github.event.pull_request.head.ref }} | |
| pip_check: | |
| needs: [black] | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Conda config | |
| run: echo -e "channels:\n - conda-forge\n" > .condarc | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: '3.12' | |
| miniforge-version: latest | |
| condarc-file: .condarc | |
| environment-file: .ci_support/environment.yml | |
| - name: Pip check | |
| shell: bash -l {0} | |
| run: | | |
| pip install versioneer[toml]==0.29 | |
| pip install . --no-deps --no-build-isolation | |
| pip check | |
| backwards: | |
| needs: [black] | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Merge environments | |
| run: | | |
| cp .ci_support/environment.yml environment.yml | |
| tail --lines=+4 .ci_support/environment-notebooks.yml >> environment.yml | |
| echo -e "channels:\n - conda-forge\n" > .condarc | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: '3.10' | |
| miniforge-version: latest | |
| condarc-file: .condarc | |
| environment-file: environment.yml | |
| - name: Test | |
| shell: bash -l {0} | |
| run: | | |
| python .ci_support/pyironconfig.py | |
| ./.ci_support/test_backwards.sh | |
| benchmark: | |
| needs: [black] | |
| runs-on: ${{ matrix.operating-system }} | |
| strategy: | |
| matrix: | |
| include: | |
| - operating-system: macos-latest | |
| python-version: '3.12' | |
| - operating-system: windows-latest | |
| python-version: '3.12' | |
| - operating-system: ubuntu-latest | |
| python-version: '3.12' | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Conda config | |
| shell: bash -l {0} | |
| run: echo -e "channels:\n - conda-forge\n" > .condarc | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| miniforge-version: latest | |
| condarc-file: .condarc | |
| environment-file: .ci_support/environment.yml | |
| - name: Tests | |
| shell: bash -l {0} | |
| timeout-minutes: 30 | |
| run: | | |
| python .ci_support/pyironconfig.py | |
| pip install versioneer[toml]==0.29 | |
| pip install . --no-deps --no-build-isolation | |
| python -m unittest discover test_benchmarks | |
| notebooks: | |
| needs: [black] | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Merge environment | |
| run: | | |
| cp .ci_support/environment.yml environment.yml | |
| tail --lines=+4 .ci_support/environment-notebooks.yml >> environment.yml | |
| echo -e "channels:\n - conda-forge\n" > .condarc | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: '3.12' | |
| miniforge-version: latest | |
| condarc-file: .condarc | |
| environment-file: environment.yml | |
| - name: Test | |
| shell: bash -l {0} | |
| run: | | |
| pip install versioneer[toml]==0.29 | |
| pip install . --no-deps --no-build-isolation | |
| ./.ci_support/build_notebooks.sh | |
| unittest_matrix: | |
| needs: [black] | |
| runs-on: ${{ matrix.operating-system }} | |
| strategy: | |
| matrix: | |
| include: | |
| - operating-system: macos-latest | |
| python-version: '3.12' | |
| label: osx-64-py-3-12 | |
| - operating-system: windows-latest | |
| python-version: '3.12' | |
| label: win-64-py-3-12 | |
| - operating-system: ubuntu-latest | |
| python-version: '3.12' | |
| label: linux-64-py-3-12 | |
| - operating-system: ubuntu-latest | |
| python-version: '3.11' | |
| label: linux-64-py-3-11 | |
| - operating-system: ubuntu-latest | |
| python-version: '3.10' | |
| label: linux-64-py-3-10 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Conda config | |
| shell: bash -l {0} | |
| run: echo -e "channels:\n - conda-forge\n" > .condarc | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| miniforge-version: latest | |
| condarc-file: .condarc | |
| environment-file: .ci_support/environment.yml | |
| - name: Test | |
| shell: bash -l {0} | |
| timeout-minutes: 30 | |
| run: | | |
| python .ci_support/pyironconfig.py | |
| pip install versioneer[toml]==0.29 | |
| pip install . --no-deps --no-build-isolation | |
| coverage run --omit="pyiron_atomistics/_version.py,tests/*" -m unittest discover tests | |
| coverage xml | |
| - name: Upload coverage reports to Codecov | |
| if: matrix.label == 'linux-64-py-3-12' | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| unittest_old: | |
| needs: [black] | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Conda config | |
| run: echo -e "channels:\n - conda-forge\n" > .condarc | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: '3.10' | |
| miniforge-version: latest | |
| condarc-file: .condarc | |
| environment-file: .ci_support/environment-old.yml | |
| - name: Test | |
| shell: bash -l {0} | |
| timeout-minutes: 30 | |
| run: | | |
| python .ci_support/pyironconfig.py | |
| pip install versioneer[toml]==0.29 | |
| pip install . --no-deps --no-build-isolation | |
| python -m unittest discover tests | |
| autobot: | |
| needs: [unittest_old, unittest_matrix, pip_check, notebooks, benchmark, backwards] | |
| permissions: | |
| contents: write | |
| pull-requests: write | |
| runs-on: ubuntu-latest | |
| if: (github.event.pull_request.user.login == 'dependabot[bot]' || github.event.pull_request.user.login == 'pre-commit-ci[bot]') | |
| steps: | |
| - name: Enable auto-merge for bot PRs | |
| run: gh pr merge --auto --squash "$PR_URL" | |
| env: | |
| PR_URL: ${{github.event.pull_request.html_url}} | |
| GH_TOKEN: ${{secrets.GITHUB_TOKEN}} |