unit-tests.yml

name: "Unit tests"
on:
  pull_request:
    branches:
      - master
      - stable
  push:
    branches:
      - master
    tags:
      - "v*"
  schedule:
    - cron: "20 5 * * *"

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

jobs:
  test_suite:
    runs-on: ${{ matrix.OS }}-latest
    name: "Unit Tests"
    strategy:
      matrix:
        CONDA_PY:
          - "3.13"
          - "3.12"
          - "3.11"
        OS: ["ubuntu"]
        MDTRAJ: ["mdtraj-release"]
        INSTALL_WITH: ["pip"]
        include:
          - CONDA_PY: "3.13"
            OS: "ubuntu"
            MDTRAJ: "mdtraj-dev"
            INSTALL_WITH: "pip"
          - CONDA_PY: "3.13"
            OS: "windows"
            MDTRAJ: "mdtraj-release"
            INSTALL_WITH: "conda"
          - CONDA_PY: "3.11"
            OS: "windows"
            MDTRAJ: "mdtraj-release"
            INSTALL_WITH: "conda"

    steps:
      - uses: actions/checkout@v2
        with:
          fetch-depth: 2
      - uses: actions/setup-python@v2
      - uses: conda-incubator/setup-miniconda@v2
        with:
          auto-update-conda: true
          python-version: ${{ matrix.CONDA_PY }}
      - name: "Create requirements files"
        run: python ci/extract_requirements.py
      - name: "Install dependencies"
        env:
          INSTALL_WITH: ${{ matrix.INSTALL_WITH }}
        run: |
          # this trick only works as long as PyPI & conda-forge use same
          # package names
          if [ "$INSTALL_WITH" = "pip" ]; then
            source ci/pip-pre-install.sh
            INSTALLER_FLAGS="-U -r"
          elif [ "$INSTALL_WITH" = "conda" ]; then
            INSTALLER_FLAGS="-c conda-forge --file"
          else
            echo "Bad value for INSTALL_WITH: $INSTALL_WITH"
            exit 1
          fi
          $INSTALL_WITH install $INSTALLER_FLAGS requirements.txt
          # have to pip-install testing until autorelease on conda
          pip install -U -r extras_test.txt
      - name: "Install MDTraj development version (pip)"
        if: ${{ matrix.MDTRAJ == 'mdtraj-dev' }}
        run: pip install --upgrade --force-reinstall -r ci/mdtraj_dev.txt
      - name: "Install optional extras (pip)"
        # we only use this with pip, but in principle it could be converted
        # to something that also uses conda
        if: ${{ matrix.MDTRAJ == 'mdtraj-dev' }}
        run: pip install -r extras_all.txt
      - name: "Install contact_map"
        run: pip install -e .
      - name: "Versions"
        env:
          INSTALL_WITH: ${{ matrix.INSTALL_WITH }}
        run: |
          $INSTALL_WITH list
      - name: "Autorelease check"
        run: python autorelease_check.py
      - name: "Tests"
        env:
          PY_COLORS: "1"
        run: |
          python -c "import contact_map"
          py.test -vv --cov=contact_map --cov-report xml
      - uses: codecov/codecov-action@v2
        if: ${{ github.event != 'schedule' }}