Installation#

Requirements#

PyPhotoMol requires Python 3.7 or later and the following packages:

  • numpy

  • pandas

  • scipy

  • matplotlib

  • plotly

  • h5py

  • kaleido

Install from pip#

You can install PyPhotoMol directly from PyPI using pip:

pip install numpy pandas scipy matplotlib plotly h5py kaleido
pip install pyphotomol

Verify Installation#

By importing the package:

import pyphotomol
print(pyphotomol.__version__)

Install from Source - Development#

Clone the repository and install in development mode (requires uv):

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

Verify Installation#

By running the tests:

uv run pytest

By creating the documentation:

uv run build_docs.py