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Welcome to xfab

- a python package for crystallographic computations!


macos-latest, setup.py install and pytest ubuntu-latest, setup.py install and pytest On pypi release, ubuntu-latest, pip install and pytest On pypi release, macos-latest, pip install and pytest


xfab was originally a python library for the totalcryst program with crystallographic computations inside. Mostly written by Henning Sorensen and Jette Oddershede at Riso.

Today xfab is maintaned by the FABLE-3DXRD organization which features many open source libraries for crystallography and diffraction analysis.

Installation

For general use you may want to get the latest release from pypi using pip

pip install xfab

If you want the smokingly hot and fresh current code, you could clone the repo and build locally from the source

 git clone https://github.com/FABLE-3DXRD/xfab.git
 cd xfab
 pip install .

If you want to make a contribution to xfab you will want to make a fork, clone it, and install in editable mode, using

 pip install --editable .