ci.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: mrh continuous integration

on: 
  push:
    branches-ignore:
      - 'master'
  pull_request:

jobs:
  build:

    runs-on: ubuntu-latest
    strategy:
      fail-fast: false
      matrix:
        python-version: ["3.8","3.9","3.10"]

    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 dependencies
      run: |
        sudo apt-get -qq install \
          gcc \
          libblas-dev \
          cmake \
          curl
        python -m pip install --upgrade pip
        python -m pip install flake8 pytest pyscf
        # python -m pip install -r pyscf_version.txt
        # TODO: figure out how to actually patch a more recent github commit over a pip wheel.
        # 'pip install -r pyscf_version.txt' does nothing by itself because the version number
        # is generally the same as the pip wheel, but even if it were higher, it would just
        # discard the entire previous installation and compile from scratch, and pyscf is too
        # big for this to be a viable way to do github actions
        python -m pip install -r pyscf-forge_version.txt
        if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
    - name: Install
      run: |
        ./.github/workflows/cmake_make.sh
    - name: Test with pytest
      run: |
        ./.github/workflows/test.sh