structuretoolkit/.github/workflows/pipeline.yml at 81f34d48649ec6b05d3e963854788a444441c2b5 · pyiron/structuretoolkit · GitHub

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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 "pyiron@mpie.de"
        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 }}

  minimal:
    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: '3.13'
        miniforge-version: latest
        condarc-file: .condarc
        environment-file: .ci_support/environment_mini.yml
    - name: Test
      shell: bash -l {0}
      timeout-minutes: 5
      run: |
        pip install . --no-deps --no-build-isolation
        python -m unittest discover tests

  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: '3.13'
        miniforge-version: latest
        condarc-file: .condarc
        environment-file: .ci_support/environment.yml
    - name: Pip check
      shell: bash -l {0}
      run: |
        pip install tomlkit
        python .ci_support/check.py
        cat pyproject.toml
        pip install . --no-deps --no-build-isolation
        python -m pip check

  unittest_matrix:
    needs: [black]
    runs-on: ${{ matrix.operating-system }}
    strategy:
      matrix:
        include:
        - operating-system: windows-latest
          python-version: '3.13'
          label: win-64-py-3-13

        - operating-system: macos-latest
          python-version: '3.13'
          label: osx-64-py-3-13

        - operating-system: ubuntu-latest
          python-version: '3.13'
          label: linux-64-py-3-13

        - 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

    steps:
    - uses: actions/checkout@v4
    - name: Merge conda environment
      if:  matrix.operating-system != 'windows-latest'
      run: tail --lines=+4 .ci_support/environment-lammps.yml >> .ci_support/environment.yml
    - 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: 5
      run: |
        pip install . --no-deps --no-build-isolation
        coverage run
        coverage xml
    - name: Upload coverage reports to Codecov
      if: matrix.label == 'linux-64-py-3-13'
      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: '3.9'
        miniforge-version: latest
        condarc-file: .condarc
        environment-file: .ci_support/environment-old.yml
    - name: Test
      shell: bash -l {0}
      timeout-minutes: 5
      run: |
        pip install . --no-deps --no-build-isolation
        python -m unittest discover tests

  autobot:
    needs: [unittest_old, unittest_matrix, pip_check, minimal]
    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}}