tests.yml

name: pytest

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
        if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
    - name: Test with pytest
      run: |
        pytest --doctest-modules 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
        if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
    - name: Test with pytest
      run: |
        pytest --doctest-modules cuequivariance_jax

  cuequivariance-torch:

    runs-on: self-hosted
    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 torch
        python -m pip install ./cuequivariance
        python -m pip install ./cuequivariance_torch
        if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
    - name: Test with pytest
      run: |
        pytest --doctest-modules cuequivariance_torch