Your message dated Fri, 17 Oct 2025 18:00:18 +0000
with message-id <[email protected]>
and subject line Bug#1114973: fixed in python-symfc 1.5.4-1
has caused the Debian Bug report #1114973,
regarding ITP: python-symfc -- Generate symmetrized force constants
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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--
1114973: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1114973
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Package: wnpp
Owner: Andrius Merkys <[email protected]>
Severity: wishlist
* Package name : python-symfc
Version : 1.5.4
Upstream Author : symfc project
* URL : https://symfc.github.io/symfc/
* License : BSD-3-Clause
Programming Lang: Python
Description : Generate symmetrized force constants
Atomic vibrations in crystals are often conveniently described using the
phonon model. In this model, the crystal potential is expanded into a
Taylor series with respect to atomic displacements from their
equilibrium positions, and the expansion coefficients are referred to as
force constants.
Predicting phonon properties through computer simulations is becoming
increasingly popular, with the supercell approach being one of the
techniques employed for phonon calculations. In this method, force
constants are derived from datasets of atomic forces and displacements
obtained from supercell snapshots, which feature various configurations
of atomic displacements.
While force constants possess specific symmetries, those computed from
displacement-force datasets often do not adhere to these symmetries due
to factors such as numerical noise or approximations used. Symfc is a
software designed to compute force constants from displacement-force
datasets in the supercell approach, ensuring they meet the required
symmetry constraints.
python-symfc is needed to update phonopy.
Remark: This package is to be maintained with Debichem Team at
https://salsa.debian.org/debichem-team/python-symfc
--- End Message ---
--- Begin Message ---
Source: python-symfc
Source-Version: 1.5.4-1
Done: Andrius Merkys <[email protected]>
We believe that the bug you reported is fixed in the latest version of
python-symfc, 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 [email protected],
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Andrius Merkys <[email protected]> (supplier of updated python-symfc 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 [email protected])
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512
Format: 1.8
Date: Fri, 12 Sep 2025 03:37:56 -0400
Source: python-symfc
Binary: python3-symfc
Architecture: source all
Version: 1.5.4-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <[email protected]>
Changed-By: Andrius Merkys <[email protected]>
Description:
python3-symfc - Generate symmetrized force constants (Python 3)
Closes: 1114973
Changes:
python-symfc (1.5.4-1) unstable; urgency=medium
.
* Initial release. (Closes: #1114973)
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