From 59ec18b7b6da3bad0e484fcf9827110b3398d219 Mon Sep 17 00:00:00 2001 From: Danny Milosavljevic Date: Fri, 13 Feb 2026 11:07:48 +0000 Subject: [PATCH] gnu: python-quasielasticbayes: Move to (gnu packages physics). MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit * gnu/packages/python-science.scm (python-quasielasticbayes): Move from here… * gnu/packages/physics.scm (python-quasielasticbayes): …to here. Change-Id: Ib3788df8af26a08ede247ddc243286e107db81c2 --- gnu/packages/physics.scm | 45 +++++++++++++++++++++++++++++++++ gnu/packages/python-science.scm | 43 ------------------------------- 2 files changed, 45 insertions(+), 43 deletions(-) diff --git a/gnu/packages/physics.scm b/gnu/packages/physics.scm index 911b8ba3f9..6a92f67c2d 100644 --- a/gnu/packages/physics.scm +++ b/gnu/packages/physics.scm @@ -18,6 +18,7 @@ (define-module (gnu packages physics) #:use-module ((guix licenses) #:prefix license:) #:use-module (guix build-system cmake) + #:use-module (guix build-system meson) #:use-module (guix build-system pyproject) #:use-module ((guix build-system python) #:select (pypi-uri)) #:use-module (guix build-system qt) @@ -29,6 +30,7 @@ #:use-module (gnu packages) #:use-module (gnu packages check) #:use-module (gnu packages cmake) + #:use-module (gnu packages gcc) #:use-module (gnu packages maths) #:use-module (gnu packages python) #:use-module (gnu packages python-build) @@ -193,3 +195,46 @@ 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-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))) diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm index 86748526f3..16466c2515 100644 --- a/gnu/packages/python-science.scm +++ b/gnu/packages/python-science.scm @@ -6671,49 +6671,6 @@ 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