diff --git a/gnu/packages/physics.scm b/gnu/packages/physics.scm index 4847e43095..8f5e7f7b3d 100644 --- a/gnu/packages/physics.scm +++ b/gnu/packages/physics.scm @@ -117,3 +117,30 @@ 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-pycifrw + (package + (name "python-pycifrw") + (version "4.4.6") + (source + (origin + (method url-fetch) + (uri (pypi-uri "PyCifRW" version)) + (sha256 + (base32 "05ggj4l9cir02m593azhl03wfjimx3rvwbznpx01bdqawxsmkgq2")))) + (build-system pyproject-build-system) + (arguments + ;; Tests are not included in the PyPI tarball. + (list #:tests? #f)) + (propagated-inputs + (list python-numpy python-ply)) + (native-inputs + (list python-setuptools)) ; build-backend = setuptools.build_meta + (home-page "https://github.com/jamesrhester/pycifrw") + (synopsis "CIF file reader and writer") + (description + "PyCifRW provides support for reading and writing CIF (Crystallographic +Information File) format files. CIF is the standard format for +crystallographic data exchange endorsed by the International Union of +Crystallography.") + (license license:psfl))) diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm index aded33595f..aa262a79de 100644 --- a/gnu/packages/python-science.scm +++ b/gnu/packages/python-science.scm @@ -6647,33 +6647,6 @@ Organization (ORSO). It includes utilities for working with reflectometry data files and the ORSO file format.") (license license:expat))) -(define-public python-pycifrw - (package - (name "python-pycifrw") - (version "4.4.6") - (source - (origin - (method url-fetch) - (uri (pypi-uri "PyCifRW" version)) - (sha256 - (base32 "05ggj4l9cir02m593azhl03wfjimx3rvwbznpx01bdqawxsmkgq2")))) - (build-system pyproject-build-system) - (arguments - ;; Tests are not included in the PyPI tarball. - (list #:tests? #f)) - (propagated-inputs - (list python-numpy python-ply)) - (native-inputs - (list python-setuptools)) ; build-backend = setuptools.build_meta - (home-page "https://github.com/jamesrhester/pycifrw") - (synopsis "CIF file reader and writer") - (description - "PyCifRW provides support for reading and writing CIF (Crystallographic -Information File) format files. CIF is the standard format for -crystallographic data exchange endorsed by the International Union of -Crystallography.") - (license license:psfl))) - (define-public python-euphonic (package (name "python-euphonic")