gh-ci.yaml

name: GH Actions CI
on:
  push:
    branches:
      - main
  pull_request:
    branches:
      - main
  schedule:
    # Weekly tests at midnight on Sundays run on main by default:
    #   Scheduled workflows run on the latest commit on the default or base branch.
    #   (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule)
    - cron: "0 0 * * 0"

permissions:
  contents: read
  pull-requests: write

concurrency:
  # Specific group naming so CI is only cancelled
  # within same PR or on merge to main
  group: ${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}
  cancel-in-progress: true

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

jobs:
  main-tests:
    if: "github.repository == 'MDAnalysis/mdadash'"
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-latest, macOS-latest, windows-latest]
        python-version: ["3.11", "3.12", "3.13", "3.14"]

    steps:
      - uses: actions/checkout@v7

      - name: Build information
        run: |
          uname -a
          df -h
          ulimit -a

      # More info on options: https://github.com/conda-incubator/setup-miniconda
      - name: Install conda dependencies
        uses: conda-incubator/setup-miniconda@v4
        with:
          python-version: ${{ matrix.python-version }}
          environment-file: devtools/conda-envs/test_env.yaml
          add-pip-as-python-dependency: true

          miniforge-version: "latest"
          use-mamba: true
          channels: conda-forge

          activate-environment: mdadash-test
          auto-update-conda: true
          auto-activate-base: false
          show-channel-urls: true
          conda-remove-defaults: true

      - name: Install package
        run: |
          python --version
          python -m pip install . --no-deps

      - name: Python information
        run: |
          which python
          which pip
          pip list

          conda info
          conda list

      - name: Run backend tests
        run: |
          pytest -n 2 -v --disable-pytest-warnings --durations=10 --cov=mdadash --cov-report=xml --color=yes mdadash/backend/tests/

      - name: Upload backend coverage to codecov
        if: github.repository == 'MDAnalysis/mdadash' && github.event_name != 'schedule'
        uses: codecov/codecov-action@v7
        with:
          file: coverage.xml
          name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
          verbose: True
          # to upload coverage reports, set a secret called CODECOV_TOKEN
          # in the repository settings
          # (Obtain this from the Codecov website after setting up the repository there)
          token: ${{ secrets.CODECOV_TOKEN }}
          # To fail the CI if there's an error, keep this set to true
          # If repository forks need to run CI, you may need to set this to false
          # Forks can't access the CODECOV_TOKEN secret,
          # and a failed upload registers as an error
          fail_ci_if_error: true

      - name: Run frontend tests
        run: |
          npm run test:unit --prefix mdadash/frontend -- --run

      - name: Upload frontend coverage to codecov
        if: github.repository == 'MDAnalysis/mdadash' && github.event_name != 'schedule'
        uses: codecov/codecov-action@v7
        with:
          file: ./coverage/lcov.info
          name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
          verbose: True
          token: ${{ secrets.CODECOV_TOKEN }}
          fail_ci_if_error: true

  pylint_check:
    if: "github.repository == 'MDAnalysis/mdadash'"
    runs-on: ubuntu-latest

    steps:
      - uses: actions/checkout@v7

      - name: Set up Python
        uses: actions/setup-python@v7
        with:
          python-version: "3.12"

      - name: Install Pylint
        run: |
          which pip
          which python
          pip install pylint mdanalysis

      - name: Run Pylint
        env:
          PYLINTRC: .pylintrc
        run: |
          pylint .

  pypi_check:
    if: "github.repository == 'MDAnalysis/mdadash'"
    runs-on: ubuntu-latest

    steps:
      - uses: actions/checkout@v7

      - name: Set up Python
        uses: actions/setup-python@v7
        with:
          python-version: "3.12"

      - name: Install dependencies
        run: |
          pip install pipx twine

      - name: Build package
        run: |
          python -m pipx run build

      - name: Check package build
        run: |
          SDIST=$(ls -t1 dist/mdadash-*.tar.gz | head -n 1)
          test -n "${SDIST}" || { echo "no source distribution dist/mdadash-*.tar.gz found"; exit 1; }
          echo "twine check $SDIST"
          twine check $SDIST
          WHL=$(ls -t1 dist/mdadash-*.whl | head -n 1)
          test -n "${WHL}" || { echo "no whl dist/mdadash-*.whl found"; exit 1; }
          echo "twine check $WHL"
          twine check $WHL

      - name: Install from wheel and verify
        run: |
          WHL=$(ls -t1 dist/mdadash-*.whl | head -n 1)
          python -m pip uninstall -y mdadash || true
          python -m pip install $WHL
          mdadash -h

  backend_lint_check:
    name: Backend lint check
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v7
      - uses: astral-sh/ruff-action@v3

      - name: Check backend code formatting for diff
        run: ruff format --diff

      - name: Check backend code formatting for project
        run: ruff check

  frontend_lint_check:
    name: Frontend lint check
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v7

      - name: Install frontend dependencies
        run: npm ci --prefix mdadash/frontend

      - name: Run lint
        run: |
          npm run lint --prefix mdadash/frontend