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Published November 13, 2023 | Version 0.9.73
Software Open

xraypy/xraylarch: 0.9.73

Authors/Creators

  • 1. University of Chicago
  • 2. CNRS - OSUG - FAME CRG
  • 3. Lawrence University
  • 4. Stonybrook University
  • 5. ESRF
  • 6. Institut de physique du globe de Paris
  • 7. Brookhaven National Laboratory
  • 8. University of Duisburg-Essen
  • 9. Argonne National Laboratory
  • 10. Lawrence Berkeley Lab
  • 11. Northeastern University
  • 12. University of Limerick

Description

[Added or changed features]

  • use of a setuptools pyproject.toml and setup.cfg, including setuptools_scm for version info.
  • 'extras_require' for adding optional pacakges. Larch will no longer try to install any packages at runtime.
  • much less agressive about installing pyepics, and can be used if installed, but is not installed by default.
  • Larix moved load pre-edge peak model from menu to Pre-edge Peak Page.
  • Larix reverted flattening to "closer to" Athena style -- may still be "in progress".
  • Feffit: better ignore reff Path Parameter value as a potential fitting Parameter.
  • Feffit: add several more per-path "magic Path Parameters", like 'reff' that can be used in Path Parameter expressions: 'nleg', 'degen', 'rmass', 'rnorman', 'gam_ch', 'rs_int', 'vint', 'vmu', 'vfermi'.

[Bug Fixes, Code improvements]

  • better handling of cases where pymatgen cannot parse a CIF file.
  • set pyFAI.use_opencl to False to avoid warning messages
  • many fixes to usage of GitHub Actions CI : now testing with mamba installer
  • remove _larch argument when saving Athena Project files or CSV files (GH 474).
  • Larix/Feffit: fix bug in which not all variables were shown (see GH 473).
  • Larix/Background Subtraction: better getting of rbkg (and ek0) from data group, not default value (say, 1.0 for rbkg) (GH
  • Larix/Dialogs: fix bug in smoothing dialog, and better preserving of "zoomed view" for several data-processing dialogs.
  • More fixes to Struct2XAS codes.

Files

xraypy/xraylarch-0.9.73.zip

Files (77.4 MB)

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md5:0825614c6262b220f262ec26a4978ec8
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Additional details

Related works

Is supplement to
Software: https://github.com/xraypy/xraylarch/tree/0.9.73 (URL)