CI.yaml

name: CI

on:
  push:
    branches:
      - "master"
  pull_request:
    branches:
      - "master"
  schedule:
    # Weekly tests run every Saturday on master 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: "34 2 * * 6"

concurrency:
  group: "${{ github.ref }}-${{ github.head_ref }}"
  cancel-in-progress: true

jobs:
  test:
    name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
    runs-on: ${{ matrix.os }}
    strategy:
      matrix:
        os: [macOS-latest, ubuntu-latest, windows-latest]
        python-version: ["3.9", "3.10", "3.11", "3.12"]
        # Only test lowest and highest version on the expensive/slow
        # macOS and windows runners (UPDATE when supported versions change):
        exclude:
          - os: macOS-latest
            python-version: 3.10
          - os: macOS-latest
            python-version: 3.11
          - os: windows-latest
            python-version: 3.10
          - os: windows-latest
            python-version: 3.11

    steps:
      - uses: actions/checkout@v3

      - name: Additional info about the build
        shell: bash
        run: |
          uname -a
          df -h
          ulimit -a

      # More info on options: https://github.com/marketplace/actions/provision-with-micromamba
      - uses: mamba-org/provision-with-micromamba@main
        with:
          environment-file: devtools/conda-envs/test_env.yaml
          environment-name: test
          channels: conda-forge,defaults
          extra-specs: |
            python=${{ matrix.python-version }}

      - name: Install package
        # conda setup requires this special shell
        shell: bash -l {0}
        run: |
          python -m pip install . --no-deps
          micromamba list

      - name: Run tests
        # conda setup requires this special shell
        shell: bash -l {0}
        run: |
          pytest -v --cov=alchemtest --cov-report=xml --color=yes alchemtest/tests/

      - name: CodeCov
        uses: codecov/codecov-action@v3
        with:
          token: ${{ secrets.CODECOV_TOKEN }}
          name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
          file: ./coverage.xml
          flags: unittests
          fail_ci_if_error: true

  pypi_check:
    name: Check source package integrity (for PyPi deployment)
    if: "github.repository == 'alchemistry/alchemtest'"
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v2

    - name: Setup Python
      uses: actions/setup-python@v2
      with:
        python-version: 3.9

    - name: Install tools
      run: |
        python -m pip install twine build

    - name: Build alchemtest source dist
      run: |
        python -m build --sdist --wheel --outdir dist/

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