[Ifeffit] Problem in xrayLarch installation

Matt Newville newville at cars.uchicago.edu
Wed Dec 15 09:23:47 CST 2021


Hi Latif,

Sorry for the trouble.  As Mauro said, some of the packages needed (and
pymatgen is one of these) are not super-well supported for installing with
pip.

FWIW, I agree that the needed combination of conda and pip is sort of
unfortunate.  But most of the "problem packages" are either Windowing
systems (wxPython: that have been challenging to have consistent binary
support on Linux is very challenging) or packages of scientific code
written by and for scientists, some with excellent engineering support and
some (like us!) with "less" support.   Conda is a popular option for many
of these.  We try to support the simpler / more ubiquitous pip where we
can.

Anyway, that's basically why we have the binary installers and installation
scripts.  But also: thanks for the report and we are trying to clean up or
at least document some of these kinds of issues where we can:
https://github.com/xraypy/xraylarch/issues/333

--Matt
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