test.yml

# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python

name: Python package

on:
  pull_request:
    branches: [ "master" ]

jobs:
  build:

    runs-on: ubuntu-latest
    strategy:
      fail-fast: false
      matrix:
        python-version: ["3.9", "3.10"] # ver. 3.11 is not supported by TP

    steps:
    - uses: actions/checkout@v3
    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v3
      with:
        python-version: ${{ matrix.python-version }}
    - name: Install general dependencies
      run: |
        python -m pip install --upgrade pip
        python -m pip install pytest
    - name: Checkout tensorpotential
      uses: actions/checkout@v2
      with:
        repository: ICAMS/TensorPotential
        path: tensorpotential
    - name: Install tensorpotential
      run: |
        cd tensorpotential
        if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
        #python setup.py install
        pip install . 
    - name: Install python-ace
      run: |    
        if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
        #python setup.py install
        pip install . 
    - name: Install maxvolpy
      # `pip install .` builds a wheel and never runs setup.py's custom
      # InstallMaxVolPyLocalPackage(install) hook, so lib/maxvolpy is not
      # installed and the active-learning tests fail to import. Build it
      # explicitly; --no-build-isolation is required because
      # lib/maxvolpy/setup.py imports Cython and numpy at module level
      # without declaring them in a pyproject.toml build-system.
      run: |
        pip install Cython scipy
        pip install --no-build-isolation ./lib/maxvolpy
    - name: Test with python-ace with tensorpotential
      run: |
        python -m pytest tests/ --runtensorpot
    - name: Integration test of CLI
      run: |
        cd tests/test-CLI/Cu-I && sh integration_test.sh
        cd ../Ethanol && sh integration_test.sh