ci.yaml

name: "CI"
on:
  pull_request:
    branches:
      - main
  push:
    branches:
      - main
  schedule:
    # At 07:00 UTC on Monday and Thursday.
    - cron: "0 7 * * *"
  workflow_dispatch:

defaults:
  run:
    shell: bash -leo pipefail {0}

jobs:
  tests:
    runs-on: ${{ matrix.os}}
    name: "💻-${{matrix.os }} 🐍-${{ matrix.python-version }}"
    strategy:
      fail-fast: false
      matrix:
        os: ["ubuntu-latest", "macos-latest", "macos-13"]
        python-version:
          - "3.9"
          - "3.10"
          - "3.11"
          - "3.12"
    steps:
      - uses: actions/checkout@v4
        with:
          fetch-depth: 0

      - name: "Setup Micromamba"
        uses: mamba-org/setup-micromamba@v1
        with:
          environment-file: environment.yml
          environment-name: openfe_analysis_env
          cache-environment: true
          cache-downloads: true
          create-args: >-
            python=${{ matrix.python-version }}
          init-shell: bash

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

      - name: "Restore pooch test data cache"
        id: cache-testdata-restore
        uses: actions/cache/restore@v3
        with:
          path: |
            ~/.cache/openfe_analysis/
          key: ${{ runner.os }}

      - name: "Test imports"
        run: |
          python -Ic "import openfe_analysis; print(openfe_analysis.__version__)"

      - name: "Run tests"
        run: |
          pytest -n auto -v --cov=openfe_analysis --cov-report=xml --durations=10

      - name: "Save pooch test data cache"
        id: cache-testdata-save
        uses: actions/cache/save@v3
        with:
          path: |
            ~/.cache/openfe_analysis/
          key: ${{ runner.os }}

      - name: codecov
        if: ${{ github.repository == 'OpenFreeEnergy/openfe_analysis'
               && github.event_name == 'pull_request' }}
        uses: codecov/codecov-action@v4
        with:
          token: ${{ secrets.CODECOV_TOKEN }}
          file: coverage.xml
          fail_ci_if_error: false
          verbose: true