diff --git a/gnu/packages/physics.scm b/gnu/packages/physics.scm index 6a92f67c2d0..cdd9653bd29 100644 --- a/gnu/packages/physics.scm +++ b/gnu/packages/physics.scm @@ -238,3 +238,32 @@ remove spurious artifacts in the data.") perform Bayesian analysis on quasi-elastic neutron-scattering data. The original Fortran code was written by Dr. Devinder Sivia in the 1980s.") (license license:bsd-3))) + +(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))) diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm index 16466c2515b..b704539996f 100644 --- a/gnu/packages/python-science.scm +++ b/gnu/packages/python-science.scm @@ -6498,35 +6498,6 @@ Python style, together with a fast and comfortable execution environment.") python-setuptools python-wheel)))) -(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))) - (define-public python-seekpath (package (name "python-seekpath")