core_tests.yml

name: Core Tests

on:
  push:
    branches:
      - main
      - next
    paths-ignore:
      - 'docs/**'
  pull_request:
    branches:
      - main
      - next
    paths-ignore:
      - 'docs/**'

jobs:
  test:
    runs-on: ubuntu-latest
    strategy:
      fail-fast: false
      matrix:
        python-version: ["3.8", "3.9", "3.10", "3.11"]
        encoding: ["application/json", "application/msgpack"]
        
    steps:
      - name: Install postgres
        run: sudo apt update && sudo apt install postgresql postgresql-contrib

      - name: Set up Python ${{ matrix.python-version }}
        uses: actions/setup-python@v5
        with:
          python-version: ${{ matrix.python-version }}

      - name: Clone the QCArchive repository
        uses: actions/checkout@v4
        with:
          fetch-depth: 0

      - name: Clone MaxMind test db repository
        uses: actions/checkout@v4
        with:
          repository: maxmind/MaxMind-DB
          path: qcarchivetesting/qcarchivetesting/MaxMind-DB

      - name: Install All QCArchive packages
        shell: bash -l {0}
        run: |
          pip install -e ./qcportal -e ./qcfractalcompute -e ./qcfractal[services,geoip,snowflake] -e ./qcarchivetesting
          pip install scipy "geometric @ git+https://github.com/leeping/geomeTRIC"

      - name: Run tests
        shell: bash -l {0}
        run: |
          pytest --runslow --client-encoding="${{ matrix.encoding }}" \
                 --log-level=DEBUG \
                 qcfractal qcportal qcfractalcompute