build.yml

---
name: build
on: [push]
jobs:
  conda-tests:
    name: Test with conda (${{ matrix.os }})
    runs-on: ${{ matrix.os }}
    continue-on-error: ${{ matrix.experimental }}
    strategy:
      fail-fast: false
      matrix:
        include:
          - os: ubuntu-20.04
            pip_cache_path: ~/.cache/pip
            experimental: false
          - os: macos-13
            pip_cache_path: ~/Library/Caches/pip
            experimental: false
    defaults:
      run:
        shell: bash -l {0}  # For conda
    env:
      # Increase this value to reset cache if conda.yml and requirements.txt
      # have not changed
      CACHE_NUMBER: 0
    steps:
      - uses: actions/checkout@v2
      - name: Checkout and setup python
        uses: actions/setup-python@v2
        with:
          python-version: '3.10'
          architecture: 'x64'

      - name: Cache pip
        uses: actions/cache@v2
        with:
          path: ${{ matrix.pip_cache_path }}
          key: ${{ runner.os }}-pip--${{ env.CACHE_NUMBER }}-${{
            hashFiles('requirements.txt') }}

      - name: Install dependencies and test code 
        run: |
          pip3 install --no-cache-dir -r requirements.txt
          pip3 install --no-deps .
          python3 -c "import toxsmi"
          python3 scripts/train_baselines.py -h
          python3 scripts/train_tox -h
          chmod +x scripts/train_tox
          scripts/train_tox -h

      - name: Send Slack notification
        uses: 8398a7/action-slack@v2
        if: always()
        with:
          status: ${{ job.status }}
          text: "CI Build ${{ matrix.os }}"
          author_name: ${{ github.actor }}
        env:
          SLACK_WEBHOOK_URL: ${{ secrets.SLACK_HOOK_URL }}
          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}