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gnu: Add python-seekpath.

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

Change-Id: I8892e74d89112d8927c0a1d223962b9e86742f8b
This commit is contained in:
Danny Milosavljevic
2025-12-22 15:28:42 +01:00
parent de73c0c7f3
commit daaae8ed29

View File

@@ -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