Your message dated Thu, 17 Apr 2025 08:10:11 +0000
with message-id <e1u5kk3-00haxp...@fasolo.debian.org>
and subject line Bug#1095166: fixed in python-dynasor 2.1-1
has caused the Debian Bug report #1095166,
regarding ITP: python-dynasor -- Molecular dynamics trajectory analysis
to be marked as done.
This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
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--
1095166: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1095166
Debian Bug Tracking System
Contact ow...@bugs.debian.org with problems
--- Begin Message ---
Package: wnpp
X-Debbugs-Cc: debian-de...@lists.debian.org, Debian Python Team
<team+pyt...@tracker.debian.org>
Owner: Roland Mas <lola...@debian.org>
Severity: wishlist
* Package name : python-dynasor
Version : 2.1
Upstream Contact: https://gitlab.com/materials-modeling/dynasor
* URL : https://gitlab.com/materials-modeling/dynasor
* License : MIT
Programming Lang: Python
Description : Molecular dynamics trajectory analysis
dynasor is a tool for calculating total and partial dynamic structure
factors as well as related correlation functions from molecular
dynamics (MD) simulations. Analysis of these functions enables one to
access the dynamics of a system without resorting to perturbative
approaches. By combining in particular the structure factor with the
cross sections (or form factors) of, e.g., neutrons, X-rays or
electrons, it is also possible to directly predict experimental
spectra.
.
Specifically dynasor can be used to calculate the following quantities:
* Partial and total dynamic structure factors, including the incoherent (or
self) part
* Partial and total static structure factors
* Partial and total intermediate scattering functions
* Longitudinal and transverse, partial and total, current correlations
* Spectral energy densities
--- End Message ---
--- Begin Message ---
Source: python-dynasor
Source-Version: 2.1-1
Done: Roland Mas <lola...@debian.org>
We believe that the bug you reported is fixed in the latest version of
python-dynasor, which is due to be installed in the Debian FTP archive.
A summary of the changes between this version and the previous one is
attached.
Thank you for reporting the bug, which will now be closed. If you
have further comments please address them to 1095...@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Roland Mas <lola...@debian.org> (supplier of updated python-dynasor package)
(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing ftpmas...@ftp-master.debian.org)
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512
Format: 1.8
Date: Wed, 16 Apr 2025 17:33:54 +0200
Source: python-dynasor
Binary: python3-dynasor
Architecture: source all
Version: 2.1-1
Distribution: experimental
Urgency: low
Maintainer: Debian Python Team <team+pyt...@tracker.debian.org>
Changed-By: Roland Mas <lola...@debian.org>
Description:
python3-dynasor - Molecular dynamics trajectory analysis
Closes: 1095166
Changes:
python-dynasor (2.1-1) experimental; urgency=low
.
* Initial packaging (Closes: #1095166). Uploading to experimental for
now, so as not to disturb the Trixie freeze.
Checksums-Sha1:
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python-dynasor_2.1.orig.tar.bz2
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python-dynasor_2.1-1.debian.tar.xz
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python-dynasor_2.1-1_amd64.buildinfo
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Checksums-Sha256:
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Files:
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python-dynasor_2.1.orig.tar.bz2
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python-dynasor_2.1-1.debian.tar.xz
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python-dynasor_2.1-1_amd64.buildinfo
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python3-dynasor_2.1-1_all.deb
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