tests.yml

name: Run Tests

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


jobs:
  cuequivariance:

    runs-on: ubuntu-latest
    strategy:
      fail-fast: false
      matrix:
        python-version: ["3.10", "3.11", "3.12"]

    steps:
    - uses: actions/checkout@v4
    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v3
      with:
        python-version: ${{ matrix.python-version }}
    - name: Install dependencies
      run: |
        python -m pip install --upgrade pip
        python -m pip install pytest
        python -m pip install ./cuequivariance
    - name: Test with pytest
      run: |
        pytest --doctest-modules -x cuequivariance

  cuequivariance-jax:

    runs-on: ubuntu-latest
    strategy:
      fail-fast: false
      matrix:
        python-version: ["3.10", "3.11", "3.12"]

    steps:
    - uses: actions/checkout@v4
    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v3
      with:
        python-version: ${{ matrix.python-version }}
    - name: Install dependencies
      run: |
        python -m pip install --upgrade pip
        python -m pip install pytest
        python -m pip install ./cuequivariance
        python -m pip install ./cuequivariance_jax
    - name: Test with pytest
      run: |
        pytest --doctest-modules -x cuequivariance_jax

  cuequivariance-torch:
    strategy:
      fail-fast: false
      matrix:
        include:
          - runner: "ubuntu-latest"
            python-version: "3.10"
          - runner: "ubuntu-latest"
            python-version: "3.12"
          - runner: "self-hosted"
            python-version: "3.12"

    runs-on: ${{ matrix.runner }}

    steps:
    - uses: actions/checkout@v4
    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v3
      with:
        python-version: ${{ matrix.python-version }}
    - name: Install dependencies
      run: |
        python -m pip install --upgrade pip
        python -m pip install pytest torch e3nn
        python -m pip install ./cuequivariance
        python -m pip install ./cuequivariance_torch
    - name: Test with pytest
      run: |
        pytest --doctest-modules -x cuequivariance_torch