ci.yml

name: CI

on:
# Run on creating or updating a PR
  pull_request:
    types: [opened, synchronize, reopened]

# And pushing to the trunk or fix branches
  push:
    branches:
      - trunk
      - 'fix*'

# And pushing new version tags e.g. 2024.103
    tags:
      - '20[0-9]{2}\.[0-9]{3}'

jobs:

  unit-test:
#   Run on ubuntu, mac and windows for python 3.8 (in AMS python stack) up to 3.12
    runs-on: ${{ matrix.os }}
    strategy:
      matrix:
        os: [ubuntu-latest, macos-latest, windows-latest]
        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]

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

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

      - name: Build package
        run: |
          python -m pip install --upgrade pip
          pip install build
          python -m build

      - name: Install package and dependencies
        run: |
          pip install dist/plams-*.whl
          pip install ".[chem,ams,analysis,dev]"

      - name: Run Unit Tests
        run: |
          coverage run --source='scm.plams' -m pytest unit_tests

#     ToDo: Bump the fail-under threshold over time until acceptable level is reached
      - name: Evaluate Coverage
        run: |
          coverage report --omit="*/unit_tests/*" -i --fail-under=35

  lint:
    runs-on: ubuntu-latest

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

      - name: Set Up Python
        uses: actions/setup-python@v5
        with:
          python-version: "3.x"

      - name: Install Dependencies
        run: |
          python -m pip install --upgrade pip
          pip install ".[dev]"

      - name: Run Black
        run: |
          black --check -t py38 -l 120 .

      - name: Run Flake8
        run: |
          flake8 --color never --count --config .flake8 .

      - name: Run MyPy
        run: |
           mypy
          

  build-docs:
    runs-on: ubuntu-latest

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

      - name: Set Up Python
        uses: actions/setup-python@v5
        with:
          python-version: "3.x"

      - name: Install Dependencies
        run: |
          python -m pip install --upgrade pip
          pip install ".[docs]"

      - name: Build Sphinx Docs
        working-directory: doc
        env:
          IGNORE_IMPORT_ERRORS: true
        run: |
          python build_plams_doc