guix_mirror_bot pushed a commit to branch master
in repository guix.
commit de73c0c7f33cb136793e98a73071469343556baa
Author: Danny Milosavljevic <[email protected]>
AuthorDate: Mon Dec 22 15:28:30 2025 +0100
gnu: Add python-spglib.
* gnu/packages/python-science.scm (python-spglib): New variable.
Change-Id: I425a7906fe4d9eaa21e7597c6ace97650e58b53a
---
gnu/packages/python-science.scm | 29 +++++++++++++++++++++++++++++
1 file changed, 29 insertions(+)
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index 0b77137401..3b5095f4de 100644
--- a/gnu/packages/python-science.scm
+++ b/gnu/packages/python-science.scm
@@ -6574,6 +6574,35 @@ within an irreducible part of the first Brillouin zone.
It provides Python
bindings via pybind11 for use in phonon calculations and inelastic neutron
scattering simulations.")
(license license:agpl3+)))
+
+(define-public python-spglib
+ (package
+ (name "python-spglib")
+ (version "2.6.0")
+ (source
+ (origin
+ (method url-fetch)
+ (uri (pypi-uri "spglib" version))
+ (sha256
+ (base32 "1sq8niay87n7hmby6hs628zzpc4apx6kp77cjvyi87hal0mxlvnn"))))
+ (build-system pyproject-build-system)
+ (propagated-inputs
+ (list python-numpy
+ python-typing-extensions))
+ (native-inputs
+ (list cmake-minimal
+ python-pytest
+ python-pyyaml
+ python-scikit-build-core
+ python-setuptools-scm))
+ (home-page "https://spglib.readthedocs.io/";)
+ (synopsis "Python bindings for spglib crystal symmetry library")
+ (description
+ "Spglib is a library for finding and handling crystal symmetries written
+in C. This package provides Python bindings for spglib, allowing Python
+programs to find symmetry operations, identify space groups, and perform
+other symmetry-related operations on crystal structures.")
+ (license license:bsd-3)))
;;;
;;; Avoid adding new packages to the end of this file. To reduce the chances
;;; of a merge conflict, place them above by existing packages with similar
