Installation

PyPi Installation

To install from the PyPi package repository, do

python -m pip install diatomic-py

Installation from source

git clone https://github.com/durham-qlm/diatomic-py.git
cd diatomic-py

# Installs essentials only
python -m pip install .

# Installs essentials + plotting support
python -m pip install ".[plotting]"

# Installs plotting support and optional progress bars
python -m pip install ".[plotting,progress]"

Development dependencies are managed with dependency groups. With uv:

uv sync --group dev
uv run pre-commit install
uv run pytest