Re: [Ifeffit] Problem in xrayLarch installation

2021-12-15 Thread Matt Newville
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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Re: [Ifeffit] Problem in xrayLarch installation

2021-12-15 Thread Mauro Rovezzi

Dear Latif,

Thanks for reporting this. Unfortunately `pip` is not able to correctly 
install all dependencies of Larch. The way to go is to install those 
dependencies via `conda`.


Under Windows, this is achieved by running the script `GetLarch.bat` 
(https://raw.githubusercontent.com/xraypy/xraylarch/master/installers/GetLarch.bat). 
This script will download and install a minconda distribution, plus 
install Larch in it.


Seen you already have Anaconda installed, you could simply run the 
following commands from your Anaconda prompt:


conda install -yc conda-forge wxpython tomopy scipy matplotlib 
scikit-image scikit-learn pymatgen pycifrw

pip install wxmplot wxutils lmfit asteval pyshortcuts pyfai xraylarch

If this does not work, please, let me know. I have created a related 
Github issue in order to avoid such troubles in the future:


https://github.com/xraypy/xraylarch/issues/333

Best,
Mauro

On 2021-12-15 08:20, Latif Ullah Khan wrote:

Dear Sir Madam,

   I hope you are doing well, I Latif Khan, working as a 
beamline scientist at XAFS beamline SESAME light source. I was using 
LARCH on my Anaconda python environment at window PC. Now I re-install 
and upgrade the Anaconda to python 3.9. I am trying to install the 
xrayLarch from Anaconda command prompt (python 3.9), using “pip install 
xraylarch” . However, it is not installing and give me an following error:


If you kindly help me in this regard, I will be grateful to you.

Thank you in advance

Best regards

Latif


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