.github/workflows/test.yaml

name: Python Test

on:
  push:
    branches: [main]
  pull_request:
    branches: [main]

env:
  UV_SYSTEM_PYTHON: 1

jobs:
  test:
    runs-on: ubuntu-latest

    strategy:
      # max-parallel: 2
      matrix:
        python-version: ["3.10", "3.11"]
        

    steps:
    - name: Checkout repository
      uses: actions/checkout@v4

    - name: Install uv
      uses: astral-sh/setup-uv@v4
      with:
        enable-cahce: true
        cache-dependency-glob: "pyproject.toml"

    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v5
      with:
        python-version: ${{ matrix.python-version }}
        python-version-file: "pyproject.toml"
        cache: 'pip'

    - name: Install dependencies
      run: |
        TORCH=2.2
        CUDA=cu121
        uv pip install torch==${TORCH}.0
        uv pip install torch-scatter -f https://data.pyg.org/whl/torch-${TORCH}.0+${CUDA}.html
        uv pip install torch-sparse -f https://data.pyg.org/whl/torch-${TORCH}.0+${CUDA}.html
        uv pip install dgl -f https://data.dgl.ai/wheels/torch-${TORCH}/${CUDA}/repo.html
        uv pip install -e .[test]
        uv pip install -e .[mace]
        uv pip install -e .[deepmd]

    - name: List dependencies
      run: pip list
      
    - name: Login huggingface
      # if: ${{ github.event.pull_request.head.repo.full_name == github.repository }}
      env:
        HF_TOKEN: ${{ secrets.HF_TOKEN_READ_ONLY }}
      run:
        huggingface-cli login --token $HF_TOKEN

    - name: Run tests
      env:
        PREFECT_API_KEY: ${{ secrets.PREFECT_API_KEY }}
        PREFECT_API_URL: ${{ secrets.PREFECT_API_URL }}
      run: |
        pytest -v tests