PAN Blend Project
Summary
xas
EXAFS and XANES

This metapackage will install all EXAFS and XANES softwares.

Description

For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:

If you discover a project which looks like a good candidate for PAN Blend to you, or if you have prepared an unofficial Debian package, please do not hesitate to send a description of that project to the PAN Blend mailing list

Links to other tasks

PAN Blend xas packages

Official Debian packages with high relevance

pymca
??? missing short description for package pymca :-(
Versions of package pymca
ReleaseVersionArchitectures
bullseye5.6.3+dfsg-1all
bookworm5.8.0+dfsg-2all
bookworm-backports5.8.7+dfsg-2~bpo12+1all
trixie5.9.4-1all
forky5.9.4-1all
sid5.9.4-1all
upstream5.9.7rc2
Popcon: 9 users (3 upd.)*
Newer upstream!
License: DFSG free
Git
Screenshots of package pymca
quantum-espresso
??? missing short description for package quantum-espresso :-(
Versions of package quantum-espresso
ReleaseVersionArchitectures
bullseye6.7-2amd64,arm64,armhf,i386
bookworm6.7-2amd64,arm64,armhf,i386,mips64el,mipsel,ppc64el,s390x
trixie6.7-3amd64,arm64,armhf,i386,ppc64el,riscv64,s390x
forky6.7-4amd64,arm64,armhf,i386,ppc64el,riscv64,s390x
sid6.7-4amd64,arm64,armhf,i386,loong64,ppc64el,riscv64,s390x
Debtags of package quantum-espresso:
roleprogram
Popcon: 20 users (5 upd.)*
Versions and Archs
License: DFSG free
Git
Please cite: P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari and R. M. Wentzcovitch: QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 21:395502 (2009)

Packaging has started and developers might try the packaging code in VCS

xraylarch
X-ray Analysis for Synchrotron Applications using Python
License: BSD-3
Debian package not available
Git

Larch is an open-source library and analysis toolkit for processing scientific data. Initially designed for x-ray spectroscopic and scattering data collected at modern synchrotrons and x-ray sources, Larch also provides many general-purpose processing and analysis tools for dealing with arrays of scientific data and organize complex data sets.

Larch is written in Python, making heavy use of the wonderful numpy, scipy, h5py, and matplotlib libraries, and can be used directly as a Python library or extended using Python. In addition, Larch provides a Python-like language (a macro language, or domain specific language) that is intended to be very easy to use for novices while also being complete enough for advanced data processing and analysis.

Larch has several related target application areas, including:

  • XAFS analysis, becoming version 2 of the Ifeffit Package.
  • Visualizing and analyzing micro-X-ray fluorescence maps.
  • Quantitative X-ray fluorescence analysis.
  • X-ray standing waves and surface scattering analysis.
  • Data collection software for synchrotron data.

The essential idea is that having these different areas connected by a common macro language will strengthen the analysis tools available for all of them, and provide a very shallow barrier for those interested in scripting the manipulation and analysis of their data.

Currently, Larch provides a complete set of XAFS Analysis tools (replacing all of the Ifeffit package), has some support for visualizing and analyzing XRF maps and spectra, and has many extra tools for X-ray spectral analysis, data handling, and general-purpose data modeling.

No known packages available

prestopronto
Software for analysis of Quick Exafs data
License: GPL3+
Debian package not available
*Popularitycontest results: number of people who use this package regularly (number of people who upgraded this package recently) out of 281937