Installation

Requirements

PyCheMelt requires Python 3.12 or later and the following packages:

• numpy

• pandas

• scipy

• xlrd

• openpyxl

Install for Users

The recommended way to install PyCheMelt is with uv:

uv add pychemelt

If you are not using uv, install PyCheMelt with pip:

pip install pychemelt

Install from Source - Development

Clone the repository and install in development mode with uv:

git clone https://github.com/osvalB/pychemelt.git
cd pychemelt
uv sync --extra dev

Verify Installation

By running the tests:

uv run pytest

By creating the documentation:

uv run build_docs.py