nomad-requirements.yml

name: validate NOMAD dependencies compatibility

on:
  push:
    branches:
      - master
  pull_request:
    branches:
      - master

jobs:
  validate_nomad_dependencies:
    runs-on: ubuntu-latest

    steps:
    - name: Checkout pynxtools
      uses: actions/checkout@v2

    - name: Checkout NOMAD from GitLab
      run: |
        git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
        cd nomad-FAIR
        git checkout develop 

    - name: Set up Python
      uses: actions/setup-python@v2
      with:
        python-version: '3.9'  # or any other version you need

    - name: Parse pynxtools pyproject.toml
      id: parse_pyproject
      run: |
        python -c "
          import toml
          import json# Load the pyproject.toml
        
          with open('pyproject.toml', 'r') as file:
              pyproject = toml.load(file)
        
          dependencies = pyproject.get('project', {}).get('dependencies', [])
        
          # Convert to requirements format and save
          with open('pyproject-requirements.txt', 'w') as f:
              for dep in dependencies:
                  f.write(f'{dep}\n')"
    
    - name: Combine and Check Dependencies
      run: |
        # Combine repo1's requirements with repo2's dependencies from pyproject.toml
        cat nomad/requirements-dev > combined-requirements.txt
        echo "" >> combined-requirements.txt
        cat pyproject-requirements.txt >> combined-requirements.txt

        # Upgrade pip and install the combined dependencies
        python -m pip install --upgrade pip
        pip install -r combined-requirements.txt
      env:
        PYTHONPATH: ""  # Ensure no pre-installed packages interfere with the test