gnu: Add python-spglib.

* gnu/packages/python-science.scm (python-spglib): New variable.

Change-Id: I425a7906fe4d9eaa21e7597c6ace97650e58b53a

1 files changed, 29 insertions, 0 deletions

diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index 0b771374016..3b5095f4de3 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