CI.yaml

name: CI

on:
  # GitHub has started calling new repo's first branch "main" https://github.com/github/renaming
  # Existing codes likely still have "master" as the primary branch
  # Both are tracked here to keep legacy and new codes working
  push:
    branches:
      - "master"
      - "main"
  pull_request:
    branches:
      - "master"
      - "main"
  # schedule:
  #   # Nightly tests run 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: "0 0 * * *"

jobs:
  test:
    name: Test on ${{ matrix.config.os }}, Python ${{ matrix.config.python-version }}
    runs-on: ${{ matrix.config.os }}
    strategy:
      matrix:
        config:
        - {
                os: ubuntu-latest,
                # os: [macOS-latest, ubuntu-latest, windows-latest]
                python-version: 3.8,
                cc: "gcc", cxx: "g++",
        # python-version: [3.7, 3.8, 3.9]
             }

    steps:
    - uses: actions/checkout@v2

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

    - name: Install OpenMM 
      uses: conda-incubator/setup-miniconda@v2
      with:
        python-version: ${{ matrix.python-version }}
        activate-environment: opencombind-dev
        environment-file: devtools/conda-envs/test_env.yaml

    - name: Testing Dependencies
      shell: bash -l {0}
      run: |
        python -m pip install -U pytest pytest-cov codecov


    - name: Install package
      shell: bash -l {0}
      run: |
        python -m pip install .

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

    - name: CodeCov
      uses: codecov/codecov-action@v2
      with:
        file: ./coverage.xml
        flags: unittests
        verbose: true
        name: codecov-${{ matrix.config.os }}-py${{ matrix.config.python-version }}

    - name: Upload CodeCov
      run: curl -Os https://uploader.codecov.io/latest/linux/codecov && chmod +x codecov && ./codecov