ci.yml

name: CI

on:
  workflow_dispatch:
  push:
    branches:
      - "main"
  pull_request:
    branches:
      - "main"
  schedule:
    # Run a cron job once daily
    - cron: "0 0 * * *"

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

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

jobs:
  test:
    name: "tests"
    runs-on: ${{ matrix.os }}-latest
    strategy:
      fail-fast: false
      matrix:
        os: ['ubuntu', 'macos']
        python-version:
          - "3.10"
          - "3.11"
          - "3.12"

    steps:
      - uses: actions/checkout@v4

      - uses: conda-incubator/setup-miniconda@v3
        with:
          auto-update-conda: true
          python-version: ${{ matrix.python-version }}
          activate-environment: test
          channel-priority: true
          environment-file: devtools/conda-envs/env.yaml
          use-mamba: true
          miniforge-variant: Mambaforge

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

      - name: Environment Information
        run: |
          conda info --all
          conda list
          mamba --version

      - name: Install package
        run: |
          python -m pip install -e .

      - name: Run tests
        shell: bash -l {0}
        run: |
          pytest -v --cov=cinnabar --cov-report=xml --cov-report=term --color=yes cinnabar/tests/

      - name: codecov
        if: ${{ github.repository == 'OpenFreeEnergy/cinnabar' && github.event_name != 'schedule'}}
        uses: codecov/codecov-action@v5
        with:
          token: ${{ secrets.CODECOV_TOKEN }}
          files: ./coverage.xml
          fail_ci_if_error: true
          verbose: true # optional (default = false)