Developer guide

Running the tests

The following will discover and run all unit test:

pip install -e .[testing]
pytest -v

Automatic coding style checks

Enable enable automatic checks of code sanity and coding style:

pip install -e .[pre-commit]
pre-commit install

After this, the yapf formatter, the pylint linter and the prospector code analyzer will run at every commit.

If you ever need to skip these pre-commit hooks, just use:

git commit -n

Continuous integration

aiida-orca comes with a .github folder that contains continuous integration tests on every commit using GitHub Actions. It will:

  1. run all tests for the django ORM

  2. build the documentation

  3. check coding style and version number (not required to pass by default)

Building the documentation

  1. Install the docs extra:

    pip install -e .[docs]
    
  2. Edit the individual documentation pages:

    docs/source/index.rst
    docs/source/developer_guide/index.rst
    docs/source/user_guide/index.rst
    docs/source/user_guide/get_started.rst
    docs/source/user_guide/tutorial.rst
    
  3. Use Sphinx to generate the html documentation:

    cd docs
    make
    

Check the result by opening build/html/index.html in your browser.