guix_mirror_bot pushed a commit to branch master
in repository guix.
commit daaae8ed29282184a0c3164ec8fbe6533c4741d6
Author: Danny Milosavljevic <[email protected]>
AuthorDate: Mon Dec 22 15:28:42 2025 +0100
gnu: Add python-seekpath.
* gnu/packages/python-science.scm (python-seekpath): New variable.
Change-Id: I8892e74d89112d8927c0a1d223962b9e86742f8b
---
gnu/packages/python-science.scm | 35 +++++++++++++++++++++++++++++++++++
1 file changed, 35 insertions(+)
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index 3b5095f4de..b6858c4f2d 100644
--- a/gnu/packages/python-science.scm
+++ b/gnu/packages/python-science.scm
@@ -6603,6 +6603,41 @@ 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)))
+
+(define-public python-seekpath
+ (package
+ (name "python-seekpath")
+ (version "2.1.0")
+ (source
+ (origin
+ (method url-fetch)
+ (uri (pypi-uri "seekpath" version))
+ (sha256
+ (base32 "1i2jhjc4ikd31v8wkxzfrvhwlv0dlzpkysf3lkafcql2c9wwbkii"))))
+ (build-system pyproject-build-system)
+ (arguments
+ (list
+ #:phases
+ #~(modify-phases %standard-phases
+ (replace 'check
+ (lambda* (#:key tests? #:allow-other-keys)
+ (when tests?
+ (invoke "pytest" "-vv" "tests")))))))
+ (propagated-inputs
+ (list python-numpy
+ python-scipy
+ python-spglib))
+ (native-inputs
+ (list python-pytest
+ python-setuptools))
+ (home-page "https://github.com/giovannipizzi/seekpath";)
+ (synopsis "K-path finder for band structure calculations")
+ (description
+ "SeeK-path is a Python module to obtain band paths in the Brillouin zone
+of crystal structures. It automatically detects Bravais lattice types and
+generates k-point labels and band paths following crystallographic
+conventions.")
+ (license license:expat)))
;;;
;;; 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
