linters.yaml

name: "linters"
on:
  pull_request:
    branches:
      - develop

concurrency:
  # Probably overly cautious group naming.
  # Commits to develop will cancel each other, but PRs will only cancel
  # commits within the same PR
  group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}"
  cancel-in-progress: true

defaults:
  run:
    shell: bash -l {0}

jobs:
  black:
    if: "github.repository == 'MDAnalysis/mdanalysis'"
    runs-on: ubuntu-latest
    timeout-minutes: 10
    defaults:
      run:
        shell: bash

    steps:
    - uses: actions/checkout@v4
      with:
        fetch-depth: 0

    - uses: actions/setup-python@v5
      with:
        python-version: "3.10"

    - uses: psf/black@stable
      with:
        options: "--check --verbose"
        src: "./package"
        version: "~= 24.0"
    
    - uses: psf/black@stable
      with:
        options: "--check --verbose"
        src: "./testsuite"
        version: "~= 24.0"


  pylint_check:
    if: "github.repository == 'MDAnalysis/mdanalysis'"
    runs-on: ubuntu-latest
    timeout-minutes: 10
    steps:
    - uses: actions/checkout@v4

    - uses: actions/setup-python@v5
      with:
        python-version: "3.10"

    - name: install
      run: |
        python -m pip install pylint

    - name: pylint
      env:
        PYLINTRC: package/.pylintrc
      run: |
        pylint package/MDAnalysis && pylint testsuite/MDAnalysisTests


  mypy :
    if: "github.repository == 'MDAnalysis/mdanalysis'"
    runs-on: ubuntu-latest
    timeout-minutes: 10
    steps:
      - uses: actions/checkout@v4

      - name: setup_micromamba
        uses: mamba-org/setup-micromamba@v2
        with:
          environment-name: mda
          create-args: >-
            python=3.10
            pip
          # using jaime's shim to avoid pulling down the cudatoolkit
          condarc: |
            channels:
              - jaimergp/label/unsupported-cudatoolkit-shim
              - conda-forge
              - bioconda

      - name: install_deps
        uses: ./.github/actions/setup-deps
        with:
          micromamba: true
          full-deps: true
          numpy: numpy=1.23.2
          rdkit: rdkit=2023.09.3

      - name: install
        run: |
          python -m pip install mypy

      - name: "Run mypy"
        run: |
          mypy package/MDAnalysis/