Develop

Install the development dependencies

Follow the uv instructions to clone and create a virtual environment first.

Then, install the development dependencies, including the test, linting and documentation requirements:

uv sync --all-groups --all-extras

Recommended tools

The following tools are all part of the lint group defined in the pyproject.toml file (see above):

• ruff for linting and formatting

• pydoclint for docstring linting

• mypy for static type checking

They play well in an IDE such as VSCode or PyCharm, which can run them automatically during editing.

Run unit tests

Without MPI:

pytest

With MPI:

mpirun -np 6 python -m pytest -svv --with-mpi

Build documentation

Generate documentation in watch mode:

sphinx-autobuild docs/source docs/build/html --watch src/ 

The documentation is locally accessible at http://127.0.0.1:8000 and will automatically reload when changes are made (either to the documentation source files or the code).