ci.yml

name: CI

on:
  push:
    branches: [master, develop]
  pull_request:
    branches: [master, develop]

env:
  FORCE_JAVASCRIPT_ACTIONS_TO_NODE24: true

jobs:
  test:
    name: Python ${{ matrix.python-version }} / ${{ matrix.os }}
    runs-on: ${{ matrix.os }}

    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-latest, macos-latest]
        python-version: ["3.10", "3.11", "3.12"]

    defaults:
      run:
        shell: bash -l {0}

    steps:
      - name: Checkout repository
        uses: actions/checkout@v4

      - name: Set up conda (miniforge)
        uses: conda-incubator/setup-miniconda@v3
        with:
          miniforge-version: latest
          python-version: ${{ matrix.python-version }}
          activate-environment: mastermsm-test
          auto-activate-base: false

      - name: Install dependencies
        run: |
          conda install -y -c conda-forge \
            numpy scipy matplotlib networkx \
            mdtraj scikit-learn
          pip install pytest
          pip install -e .

      - name: Show package versions
        run: conda list | grep -E "numpy|scipy|mdtraj|networkx|scikit"

      - name: Run tests
        run: pytest mastermsm/test/ -v --tb=long