full_tests.yml

name: Full Suite End-to-end test

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"]

    steps:
      - name: Set up Python ${{ matrix.python-version }}
        uses: actions/setup-python@v4
        with:
          python-version: ${{ matrix.python-version }}

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


      #################################################
      # QCFractal Server
      #################################################
      - name: Configure conda for the QCFractal server
        uses: conda-incubator/setup-miniconda@v2
        with:
          python-version: ${{ matrix.python-version }}
          miniforge-variant: Mambaforge
          miniforge-version: latest
          activate-environment: qcarchive-server
          environment-file: qcarchive/qcarchivetesting/conda-envs/fulltest_server.yaml
          auto-activate-base: false

      - name: Install QCFractal
        shell: bash -l {0}
        run: |
          pip install --no-deps -e ./qcarchive/qcportal -e ./qcarchive/qcfractalcompute -e ./qcarchive/qcfractal

      - name: Conda info for the QCFractal server
        shell: bash -l {0}
        run: |
          conda info
          conda list

      - name: Start the QCFractal server
        shell: bash -l {0}
        run: |
          mkdir server; cd server
          cp ../qcarchive/qcarchivetesting/qcarchivetesting/config_files/gha_fractal_server.yaml ./
          qcfractal-server --config=gha_fractal_server.yaml init-db
          qcfractal-server --config=gha_fractal_server.yaml start &


      #################################################
      # QCFractalCompute worker
      #################################################
      - name: Configure conda for QCFractalCompute worker
        uses: conda-incubator/setup-miniconda@v2
        with:
          python-version: ${{ matrix.python-version }}
          miniforge-variant: Mambaforge
          miniforge-version: latest
          activate-environment: qcarchive-worker
          environment-file: qcarchive/qcarchivetesting/conda-envs/fulltest_worker.yaml
          auto-activate-base: false

      - name: Install QCFractalCompute
        shell: bash -l {0}
        run: |
          pip install --no-deps -e ./qcarchive/qcportal -e ./qcarchive/qcfractalcompute

      - name: Conda info for the QCFractalCompute worker
        shell: bash -l {0}
        run: |
          conda info
          conda list

      - name: Start the QCFractalCompute worker
        shell: bash -l {0}
        run: |
          mkdir compute; cd compute
          cp ../qcarchive/qcarchivetesting/qcarchivetesting/config_files/gha_fractal_compute.yaml ./
          qcfractal-compute-manager --config=gha_fractal_compute.yaml &


      #################################################
      # QCPortal client
      #################################################
      - name: Configure conda for the QCPortal client
        uses: conda-incubator/setup-miniconda@v2
        with:
          python-version: ${{ matrix.python-version }}
          miniforge-variant: Mambaforge
          miniforge-version: latest
          activate-environment: qcarchive-qcportal
          environment-file: qcarchive/qcarchivetesting/conda-envs/fulltest_qcportal.yaml
          auto-activate-base: false

      - name: Install QCPortal
        shell: bash -l {0}
        run: |
          pip install --no-deps -e ./qcarchive/qcportal
          pip install pytest

      - name: Conda info for the QCPortal client
        shell: bash -l {0}
        run: |
          conda info
          conda list


      #################################################
      # Run tests
      #################################################
      - name: Run Tests
        shell: bash -l {0}
        run: |
          python3 -m venv testing_env
          source testing_env/bin/activate
          pip install --upgrade pip
          cd qcarchive
          pip install -e ./qcportal -e ./qcfractalcompute -e ./qcfractal -e ./qcarchivetesting
          pytest --log-level=DEBUG --fractal-uri="http://127.0.0.1:7900" qcarchivetesting

      - name: Stop server & worker
        shell: bash -l {0}
        run: |
          killall qcfractal-compute-manager
          killall qcfractal-server