Installation

Is is recommended to create a separate Python environment for this package, e.g.

micromamba create -n quvac python=3.12

After cloning the git repository and entering it, choose relevant optional dependencies

• [test] allows to run tests

• [plot] installs matplotlib and jupyterlab

• [docs] installs sphinx and everything necessary for documentation generation

• [optimization] installs Bayesian optimization package

• [light] is a shorthand for [test,plot,docs]

To install all dependencies, run

pip install .[all]

Note

For example, if you do not require optimization capabilities, run

pip install .[test,plot]

After successfull installation with [all], [light] or [test] options, run pytest to make sure the installation was successfull (it takes some time).

pytest

Note

By default pytest runs only unit tests without any physics benchmark (files tests/test_*.py`).

For minimal physics benchmarking run pytest -m 'not slow' -m 'benchmark' (files tests/bench_*.py).

Benchmarks have a couple of time-demanding tests, they could be launched with pytest -m 'slow' -m 'benchmark'.

Using uv

If you prefer using uv package manager then the installation follows similar steps. After cloning the git repository and entering it, create the environment and install quvac

uv venv
uv pip install .[light]

You can test the installation with

uv run pytest

Launch the jupyterlab (e.g. tutorial notebooks) with

uv run jupyter lab

Generate the documentation with

uv run python -m sphinx -b html docs/source docs/build/html