tests.yaml

name: Tests
on:
  push:
    branches:
      - master
  pull_request:
  workflow_dispatch:
jobs:
  ruff:
    runs-on: ubuntu-22.04
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: "3.12"
          cache: "pip"
      - run: pip install -e '.[dev]'
      - run: ruff check .
  mypy:
    runs-on: ubuntu-22.04
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: "3.12"
          cache: "pip"
      - run: pip install -e '.[dev]'
      - run: mypy .
  ruff-format:
    runs-on: ubuntu-22.04
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: "3.12"
          cache: "pip"
      - run: pip install -e '.[dev]'
      - run: ruff format --check .
  pytest:
    runs-on: ubuntu-22.04
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: "3.12"
          cache: "pip"
      - run: pip install -e '.[dev]'
      - run: pytest --cov=src --cov-report term-missing
  doctest:
    runs-on: ubuntu-22.04
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: "3.12"
          cache: "pip"
      - run: pip install -e '.[dev]'
      - run: make -C docs doctest
  from-sdf-example:
    runs-on: ubuntu-22.04
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: "3.12"
          cache: "pip"
      - run: pip install -e '.[dev]'
      - run: |
          python examples/from_sdf.py data/molecules.sdf test-atomlite.db
          test -f test-atomlite.db
  read-database-example:
    runs-on: ubuntu-22.04
    steps:
      - uses: actions/checkout@v4
      - uses: actions/setup-python@v5
        with:
          python-version: "3.12"
          cache: "pip"
      - run: pip install -e '.[dev]'
      - run: python examples/read_database.py data/atomlite.db