[GSAS-II] More GRAS-2 problems on linux

Anselm Loges anselm.loges at fu-berlin.de
Mon Oct 19 08:37:24 CDT 2020


Dear all,

I have more problems to report with my attempt at installing GSAS-2 on
linux. After a number of failed attempts to refine real data, I decided to
take a step back and go through some tutorials step by step, using the
provided exercise files in order to pinpoint the errors.

I tried this tutorial:
https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm

The first noticeable error occurs at "Step 11: Plot Profile Parameters
with Individual Peak Widths (optional)". The resulting plot is as expected
except that the dashed fit lines are missing. The legend is correct,
though, including dashed lines.

Moving on, I get to "Step 2.5: Refine Histogram Parameters" just fine. But
here, the "Calculate/Refine" action spits out a diagram that has the "obs"
line and points but neither "calc" nor "bkg". They again show up in the
legend. So far I assumed that there is a problem with matplotlib version
incompatibility, which is a bit of a infamous nuisance in Python programs.
However, the difference plot at the bottom is identical with the observed
data (apart from scaling), which suggests that nothing has been
calculated. This tells me that scipy may also have a problem.

None of the subsequent steps seem to be doing anything.

Also, whenever I refine anything, a window pops up very briefly, which I
assume is supposed tell me the progress and quality of the fit. However,
this window closes again before anything is displayed, usually within a
fraction of a second after opening.

Can someone tell me what the latest matplotlib, numpy and scipy versions
are that are known to work on linux?

I am running this setup right now:
  Python:     3.6.9
  wx:         4.0.7
  matplotlib: 3.3.0
  numpy:      1.19.2
  scipy:      1.5.1
  OpenGL:     3.1.5
  Image:      7.2.0 (PIL or Pillow)
  Platform:   linux 64bit x86_64
This is GSAS-II revision 4588 (SVN version 4588)

All on Ubuntu 18.04 LTS on an Intel machine.

Thanks,
Anselm



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