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Bug#882399: ITP: spglib -- C library for crystal symmetry determination




Package: wnpp
Severity: wishlist
Owner: Andrius Merkys <andrius.merkys@xxxxxxxxx>

* Package name    : spglib
  Version         : 1.10.1
  Upstream Author : Atsushi Togo <atz.togo@xxxxxxxxx>
* 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.