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gnu: python-brille: Move to (gnu packages physics).

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* gnu/packages/python-science.scm (python-brille): Move from here…
* gnu/packages/physics.scm (python-brille): …to here.
* gnu/local.mk (GNU_SYSTEM_MODULES): Add reference to that file.
* etc/teams.scm (science): Add reference to that file.

Change-Id: I207940441fb4406fb034d5582ba9f5517544179b
This commit is contained in:
Danny Milosavljevic
2026-02-13 11:05:28 +00:00
parent 1b149929cd
commit 2e7ae98c24
5 changed files with 122 additions and 77 deletions
Download Patch File Download Diff File Expand all files Collapse all files

1
CODEOWNERS
View File

@@ -373,6 +373,7 @@ gnu/packages/graph\.scm @guix/science
gnu/packages/lean\.scm @guix/science
gnu/packages/maths\.scm @guix/science
gnu/packages/medical\.scm @guix/science
gnu/packages/physics\.scm @guix/science
gnu/packages/sagemath\.scm @guix/science
gnu/packages/statistics\.scm @guix/science

1
etc/teams.scm
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@@ -1044,6 +1044,7 @@ packages (e.g. Astronomy, Chemistry, Math, Physics etc.)"
"gnu/packages/lean.scm"
"gnu/packages/maths.scm"
"gnu/packages/medical.scm"
"gnu/packages/physics.scm"
"gnu/packages/sagemath.scm"
"gnu/packages/statistics.scm")))

1
gnu/local.mk
View File

@@ -549,6 +549,7 @@ GNU_SYSTEM_MODULES = \
%D%/packages/phabricator.scm \
%D%/packages/php.scm \
%D%/packages/php-xyz.scm \
%D%/packages/physics.scm \
%D%/packages/piet.scm \
%D%/packages/diagram.scm \
%D%/packages/pkg-config.scm \

119
gnu/packages/physics.scm Normal file
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@@ -0,0 +1,119 @@
;;; Copyright © 2026 Danny Milosavljevic <dannym@friendly-machines.com>
;;;
;;; This file is part of GNU Guix.
;;;
;;; GNU Guix is free software; you can redistribute it and/or modify it
;;; under the terms of the GNU General Public License as published by
;;; the Free Software Foundation; either version 3 of the License, or (at
;;; your option) any later version.
;;;
;;; GNU Guix is distributed in the hope that it will be useful, but
;;; WITHOUT ANY WARRANTY; without even the implied warranty of
;;; MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
;;; GNU General Public License for more details.
;;;
;;; You should have received a copy of the GNU General Public License
;;; along with GNU Guix. If not, see <http://www.gnu.org/licenses/>.
(define-module (gnu packages physics)
#:use-module ((guix licenses) #:prefix license:)
#:use-module (guix build-system cmake)
#:use-module (guix build-system pyproject)
#:use-module ((guix build-system python) #:select (pypi-uri))
#:use-module (guix build-system qt)
#:use-module (guix download)
#:use-module (guix gexp)
#:use-module (guix git-download)
#:use-module (guix packages)
#:use-module (guix utils)
#:use-module (gnu packages)
#:use-module (gnu packages check)
#:use-module (gnu packages cmake)
#:use-module (gnu packages maths)
#:use-module (gnu packages python)
#:use-module (gnu packages python-build)
#:use-module (gnu packages python-check)
#:use-module (gnu packages python-compression)
#:use-module (gnu packages python-crypto)
#:use-module (gnu packages python-graphics)
#:use-module (gnu packages python-science)
#:use-module (gnu packages python-web)
#:use-module (gnu packages python-xyz)
#:use-module (gnu packages qt))
(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+)))

77
gnu/packages/python-science.scm
View File

@@ -6498,83 +6498,6 @@ 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+)))
(define-public python-spglib
(package
(name "python-spglib")