Package: wnpp Severity: wishlist Owner: Andrius Merkys <andrius.mer...@gmail.com>
* Package name : spglib Version : 1.10.1 Upstream Author : Atsushi Togo <atz.t...@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.
