guix_mirror_bot pushed a commit to branch master
in repository guix.
commit 51b803ec264e93616c87f562b51659b1a0d525b5
Author: Danny Milosavljevic <[email protected]>
AuthorDate: Tue Feb 3 06:53:07 2026 +0100
gnu: Add python-pycifrw.
* gnu/packages/python-science.scm (python-pycifrw): New variable.
Change-Id: Iaee90ca32d519f1b621e6323e636bfcf231a61f1
---
gnu/packages/python-science.scm | 63 +++++++++++++++++++++++++++++++++++++++++
1 file changed, 63 insertions(+)
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index 7e11f4b354..5c225028b7 100644
--- a/gnu/packages/python-science.scm
+++ b/gnu/packages/python-science.scm
@@ -6687,6 +6687,69 @@ It handles reciprocal-space structure factors and
real-space pair distribution
functions, performing Fourier transforms between them and applying filters to
remove spurious artifacts in the data.")
(license license:gpl3+)))
+
+(define-public python-orsopy
+ (package
+ (name "python-orsopy")
+ (version "1.2.1")
+ (source
+ (origin
+ (method url-fetch)
+ (uri (pypi-uri "orsopy" version))
+ (sha256
+ (base32 "1fpp9h93p55sa4cfsix71ibj74fdrgh2kzmw2rg06ya8q0c4ndik"))))
+ (build-system python-build-system)
+ (arguments
+ (list
+ #:phases
+ #~(modify-phases %standard-phases
+ (replace 'check
+ (lambda* (#:key tests? #:allow-other-keys)
+ (when tests?
+ (invoke "pytest" "-vv"
+ ;; These tests require network access.
+ "--ignore=orsopy/slddb/tests/test_webapi.py"
+
"--deselect=orsopy/fileio/tests/test_model_language.py::TestSubStack::test_resolve_layers"
+
"--deselect=orsopy/fileio/tests/test_model_language.py::TestMaterial::test_density_lookup_elements"
+
"--deselect=orsopy/fileio/tests/test_model_language.py::TestSampleModel::test_resolve_to_layers")))))))
+ (propagated-inputs
+ (list python-numpy python-pyyaml python-jsonschema python-h5py))
+ (native-inputs
+ (list python-pytest python-pint))
+ (home-page "https://github.com/reflectivity/orsopy";)
+ (synopsis "Open Reflectometry Standards Organization Python tools")
+ (description
+ "This package provides Python tools for the Open Reflectometry Standards
+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)))
;;;
;;; 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
