guix_mirror_bot pushed a commit to branch master
in repository guix.
commit 8516a200ac520a3a55196dd73873be55e8a25b8a
Author: Danny Milosavljevic <[email protected]>
AuthorDate: Mon Dec 22 15:28:02 2025 +0100
gnu: Add python-brille.
* gnu/packages/python-science.scm (python-brille): New variable.
Change-Id: I39db7aff28c9d3d80c1cd404ee91fd1ec5fc89cd
---
gnu/packages/python-science.scm | 86 +++++++++++++++++++++++++++++++++++++++++
1 file changed, 86 insertions(+)
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index 3337b3d216..0b77137401 100644
--- a/gnu/packages/python-science.scm
+++ b/gnu/packages/python-science.scm
@@ -58,6 +58,7 @@
(define-module (gnu packages python-science)
#:use-module ((guix licenses) #:prefix license:)
#:use-module (gnu packages)
+ #:use-module (gnu packages algebra)
#:use-module (gnu packages base)
#:use-module (gnu packages bioinformatics)
#:use-module (gnu packages boost)
@@ -71,15 +72,20 @@
#:use-module (gnu packages databases)
#:use-module (gnu packages digest)
#:use-module (gnu packages duckdb)
+ #:use-module (gnu packages elf)
#:use-module (gnu packages gcc)
#:use-module (gnu packages geo)
+ #:use-module (gnu packages gl)
#:use-module (gnu packages graphviz)
#:use-module (gnu packages image)
#:use-module (gnu packages image-processing)
+ #:use-module (gnu packages jemalloc)
#:use-module (gnu packages jupyter)
#:use-module (gnu packages machine-learning)
#:use-module (gnu packages maths)
#:use-module (gnu packages mpi)
+ #:use-module (gnu packages networking)
+ #:use-module (gnu packages ninja)
#:use-module (gnu packages pcre)
#:use-module (gnu packages perl)
#:use-module (gnu packages pkg-config)
@@ -93,11 +99,14 @@
#:use-module (gnu packages python-xyz)
#:use-module (gnu packages qt)
#:use-module (gnu packages rust-apps)
+ #:use-module (gnu packages serialization)
#:use-module (gnu packages simulation)
#:use-module (gnu packages sphinx)
#:use-module (gnu packages ssh)
#:use-module (gnu packages statistics)
+ #:use-module (gnu packages tbb)
#:use-module (gnu packages time)
+ #:use-module (gnu packages tls)
#:use-module (gnu packages version-control)
#:use-module (gnu packages xdisorg)
#:use-module (gnu packages xml)
@@ -110,6 +119,7 @@
#:use-module (guix utils)
#:use-module (guix build-system cargo)
#:use-module (guix build-system cmake)
+ #:use-module (guix build-system meson)
#:use-module (guix build-system python)
#:use-module (guix build-system pyproject))
@@ -6488,6 +6498,82 @@ Python style, together with a fast and comfortable
execution environment.")
python-setuptools
python-wheel))))
+(define-public python-brille
+ (package
+ (name "python-brille")
+ (version "0.8.3")
+ (source
+ (origin
+ (method git-fetch)
+ (uri (git-reference
+ (url "https://github.com/brille/brille";)
+ (commit (string-append "v" version))))
+ (file-name (git-file-name name version))
+ (sha256
+ (base32 "1vyxa7k6yrpxizbmljrv7bnsf7dzxsfbs4id36x09jjxwh7dysjj"))))
+ (build-system cmake-build-system)
+ (arguments
+ (list
+ #:configure-flags
+ #~(list
+ ;; Boost.System is header-only since 1.69, but FindBoost looks
for
+ ;; libboost_system.so which doesn't exist.
+ "-DHIGHFIVE_USE_BOOST=OFF"
+ ;; Pretend we're doing a scikit-build build to skip Conan.
+ "-DSKBUILD=ON"
+ (string-append "-DSKBUILD_PROJECT_NAME=brille")
+ (string-append "-DSKBUILD_PROJECT_VERSION=" #$version))
+ #:imported-modules `(,@%cmake-build-system-modules
+ ,@%pyproject-build-system-modules)
+ #:modules '((guix build cmake-build-system)
+ ((guix build python-build-system) #:select (site-packages))
+ (guix build utils))
+ #:phases
+ (with-extensions (list (pyproject-guile-json))
+ #~(modify-phases %standard-phases
+ (add-after 'unpack 'create-pkg-info
+ (lambda _
+ ;; Create PKG-INFO so DynamicVersion.cmake finds version
without git.
+ (call-with-output-file "PKG-INFO"
+ (lambda (port)
+ (format port "Metadata-Version: 2.1
+Name: brille
+Version: ~a
+" #$version)))))
+ (add-before 'configure 'set-version
+ (lambda _
+ (setenv "SETUPTOOLS_SCM_PRETEND_VERSION" #$version)))
+ (add-after 'install 'install-python
+ (lambda* (#:key inputs outputs #:allow-other-keys)
+ (let ((site-packages (site-packages inputs outputs)))
+ (mkdir-p (string-append site-packages "/brille"))
+ ;; Install Python source files and compiled extension module.
+ (for-each (lambda (file)
+ (install-file file
+ (string-append site-packages
"/brille")))
+ (append
+ (find-files "../source/brille" "\\.py$")
+ (find-files "." "^_brille\\..*\\.so$"))))))))))
+ (native-inputs
+ (list catch2-3
+ cmake-minimal
+ highfive
+ pybind11
+ python-wrapper
+ python-setuptools
+ python-setuptools-scm))
+ (inputs
+ (list hdf5))
+ (propagated-inputs
+ (list python-numpy))
+ (home-page "https://github.com/brille/brille";)
+ (synopsis "Symmetry operations and interpolation in Brillouin zones")
+ (description
+ "Brille is a C++ library for symmetry operations and linear interpolation
+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+)))
;;;
;;; 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
