guix_mirror_bot pushed a commit to branch master
in repository guix.
commit 78b3860f48d10fd2955bf63dabfcaa92fea52db6
Author: Danny Milosavljevic <[email protected]>
AuthorDate: Mon Dec 22 15:31:31 2025 +0100
gnu: Add python-quasielasticbayes.
* gnu/packages/python-science.scm (python-quasielasticbayes): New variable.
Change-Id: I4a80e53c2f4c058b8678b599d9a4a3d7752efedb
---
gnu/packages/python-science.scm | 44 +++++++++++++++++++++++++++++++++++++++++
1 file changed, 44 insertions(+)
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index 854af26214..d2d5755bb0 100644
--- a/gnu/packages/python-science.scm
+++ b/gnu/packages/python-science.scm
@@ -6823,6 +6823,50 @@ simulating inelastic neutron scattering (INS) from force
constants. It can
read output from CASTEP and Phonopy and calculate phonon frequencies,
eigenvectors, and structure factors.")
(license license:gpl3+)))
+
+(define-public python-quasielasticbayes
+ (package
+ (name "python-quasielasticbayes")
+ (version "0.3.0")
+ (source
+ (origin
+ (method git-fetch)
+ (uri (git-reference
+ (url "https://github.com/mantidproject/quasielasticbayes";)
+ (commit (string-append "v" version))))
+ (file-name (git-file-name name version))
+ (sha256
+ (base32 "05va9qygw4a9app61spw6hqmbn9cq09w0dik9g6xvzpwcmfb7yx4"))))
+ (build-system meson-build-system)
+ (arguments
+ (list
+ #:imported-modules `((guix build python-build-system)
+ ,@%meson-build-system-modules)
+ #:modules '((guix build meson-build-system)
+ ((guix build python-build-system) #:prefix py:)
+ (guix build utils))
+ #:phases
+ #~(modify-phases %standard-phases
+ (add-after 'install 'check
+ (lambda* (#:key tests? inputs outputs #:allow-other-keys)
+ (when tests?
+ (py:add-installed-pythonpath inputs outputs)
+ (invoke "pytest" "../source/src/quasielasticbayes/test")))))))
+ (native-inputs
+ (list gfortran
+ python
+ python-numpy
+ python-pytest))
+ (propagated-inputs
+ (list python-numpy))
+ (home-page "https://github.com/mantidproject/quasielasticbayes";)
+ (synopsis "Bayesian analysis for quasi-elastic neutron scattering")
+ (description
+ "This package provides Python wrappers for Fortran routines used to
+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)))
+
;;;
;;; 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
