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