CI.yml

name: CI

# Controls when the workflow will run
on:
  # Triggers the workflow on push or pull request events but only for the main branch
  push:
    branches: [ main ]
  pull_request:
    branches: [ main ]
  schedule:
    - cron: "0 0 * * *"

  # Allows you to run this workflow manually from the Actions tab
  workflow_dispatch:

# A workflow run is made up of one or more jobs that can run sequentially or in parallel
jobs:
  Mambaforge-pytest:
    name: Unit-Test (${{ matrix.os }}, Python ${{ matrix.python-version }})
    runs-on: ${{ matrix.os }}-latest
    strategy:
      fail-fast: false
      matrix:
        python-version: ["3.9", "3.10"]
        os: ["ubuntu", "macos"]
        include:
          - os: ubuntu
            environment-file: environment.yml
            miniforge-variant: Mambaforge
            miniforge-version: 4.9.2-4
          - os: macos
            environment-file: environment.yml
            miniforge-variant: Mambaforge-pypy3
    steps:
      - uses: actions/checkout@v2
      - uses: conda-incubator/setup-miniconda@v2
        with:
          environment-file: ${{ matrix.environment-file }}
          miniforge-variant: ${{ matrix.miniforge-variant }}
          miniforge-version: ${{ matrix.miniforge-version }}
          python-version: ${{ matrix.python-version }}
          use-mamba: true

      - shell: bash -l {0}
        run: |
          pip install .

      - shell: bash -l {0}
        run: |
          python -m pytest -v --color yes mosdef_gomc/tests --cov
          coverage xml
          echo "tests finished"

      - name: Upload coverage reports to Codecov
        uses: codecov/codecov-action@v3

  docker:
    runs-on: 'ubuntu-latest'
    needs: Mambaforge-pytest
    name: 'Build Docker Image'
    if: github.event_name != 'pull_request'

    steps:
      - name: Set up Docker Buildx
        uses: docker/setup-buildx-action@v1

      - name: Login to DockerHub
        uses: docker/login-action@v1
        with:
          username: ${{ secrets.DOCKERHUB_USERNAME }}
          password: ${{ secrets.DOCKERHUB_PASSWORD }}

      - name: Get Tagged Version
        run: |
          echo "DOCKER_TAGS=${{ secrets.DOCKERHUB_USERNAME }}/mosdef-gomc:${GITHUB_REF_NAME}, ${{ secrets.DOCKERHUB_USERNAME }}/mosdef-gomc:stable" >> $GITHUB_ENV
        if: github.ref_type == 'tag'

      - name: Get Push Version
        run: |
          echo "DOCKER_TAGS=${{ secrets.DOCKERHUB_USERNAME }}/mosdef-gomc:${GITHUB_REF_NAME}, ${{ secrets.DOCKERHUB_USERNAME }}/mosdef-gomc:latest" >> $GITHUB_ENV
        if: github.ref_type == 'branch'

      - name: Docker Image Info
        run: |
          echo Docker Image tags: ${DOCKER_TAGS}

      - name: Build and Push
        uses: docker/build-push-action@v2
        with:
          push: true
          tags: ${{ env.DOCKER_TAGS }}