Bug#882399: ITP: spglib -- C library for crystal symmetry determination
Package: wnpp
Severity: wishlist
Owner: Andrius Merkys <andrius.merkys@gmail.com>
* Package name : spglib
Version : 1.10.1
Upstream Author : Atsushi Togo <atz.togo@gmail.com>
* URL : https://atztogo.github.io/spglib/
* License : BSD-3-Clause
Programming Lang: C
Description : C library for crystal symmetry determination
Spglib is a C library for crystal symmetry determination. Symmetry
operations, space groups and other data can be obtained using this
symmetry finder.
Features include:
* Identify space-group type
* Find symmetry operations
* Find a primitive cell
* Search irreducible k-points
* Refine crystal structure
* Wyckoff position assignment
The package implements symmetry determination algorithms by
Grosse-Kunstleve (Acta Cryst., A55, 383-395 (1999)) and Grosse-Kunstleve
and Adams (Acta Cryst., A58, 60-65 (2002)). There are language bindings
for Python, Fortran and Ruby.
Packaging of spglib was previously requested in RFPs #602113 and #674135
(merged).
I plan to team-maintain the package in Debian Science. I will need a
sponsor to upload the package once it is ready.
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