formatting.yml

name: Code Formatting

on:
  push: # ci work when pushing master branch
    branches:
      - master
  pull_request: # ci work when creating a PR to master branch
    branches:
      - master


jobs:
  linting:
    runs-on: ubuntu-latest
    steps:
    - name: Maximize build space
      if: runner.os == 'ubuntu-latest'
      run: |
        sudo rm -rf /usr/share/dotnet
        sudo rm -rf /opt/ghc
        sudo rm -rf "/usr/local/share/boost"
        sudo rm -rf "$AGENT_TOOLSDIRECTORY"
        sudo rm -rf /usr/local/lib/android
    - uses: actions/checkout@v4
      with:
        fetch-depth: 0

    - name: Set commit range (push to the master branch, e.g. merge)
      if: github.ref == 'refs/heads/master' && github.event_name == 'push'
      run: echo "COMMIT_RANGE=${{ github.event.before }}.." >> $GITHUB_ENV

    - name: Set commit range (pull request)
      if: github.event_name == 'pull_request'
      run: |
        git fetch origin master
        echo "COMMIT_RANGE=origin/master..." >> $GITHUB_ENV

    - name: Cache pip packages for Linux
      if: runner.os == 'Linux'
      uses: actions/cache@v4
      with:
        path: ~/.cache/pip
        key: ${{ runner.os }}-pip-${{ hashFiles('requirements/**') }}
        restore-keys: |
          ${{ runner.os }}-pip-

    - name: Set up Python
      uses: actions/setup-python@v5
      with:
        python-version: '3.9'

    - name: Create env.yml
      shell: bash
      run: |
        python -m pip install --upgrade pip;
        pip install conda-merge;
        cd requirements
        conda-merge env_common.yml env_test.yml env_ubuntu.yml tensorflow/env_tensorflow.cpu.yml torch/env_torch.cpu.yml jax/env_jax.cpu.yml > env.yml
        cd ..
        cp requirements/env.yml env.yml

    - name: Install all dependencies using micromamba
      uses: mamba-org/setup-micromamba@main
      with:
        environment-file: env.yml
        environment-name: deepchem
        create-args: python=${{ matrix.python-version }}

    - name: Install DeepChem
      id: install
      shell: bash -l {0}
      run: pip install -e .

    - name: Show files modified
      run: |
        CHANGED_FILES=`git diff --name-only $COMMIT_RANGE || true`
        echo "changed files are $CHANGED_FILES"

    - name: Yapf (version 0.32.0)
      id: yapf
      shell: bash -l {0}
      run: |
        CHANGED_FILES=`git diff --name-only $COMMIT_RANGE | grep .py$ || true`
        if [ -n "$CHANGED_FILES" ]; then
          yapf -d $CHANGED_FILES
        fi

    - name: Flake8
      if: ${{ (success() || failure()) && (steps.install.outcome == 'failure' || steps.install.outcome == 'success') }}
      shell: bash -l {0}
      run: source scripts/flake8_for_ci.sh

    - name: Mypy
      if: ${{ (success() || failure()) && (steps.install.outcome == 'failure' || steps.install.outcome == 'success') }}
      shell: bash -l {0}
      run: |
        mypy -p deepchem