guix_mirror_bot pushed a commit to branch master
in repository guix.
commit fd6b75b373077b08313de6768ac9b861b2836666
Author: Danny Milosavljevic <[email protected]>
AuthorDate: Fri Feb 13 11:10:07 2026 +0000
gnu: python-euphonic: Move to (gnu packages physics).
* gnu/packages/python-science.scm (python-euphonic): Move from here…
* gnu/packages/physics.scm (python-euphonic): …to here.
Change-Id: Ica393a72f5c9b8875bef4b4186bc4a8571b83007
---
gnu/packages/physics.scm | 77 +++++++++++++++++++++++++++++++++++++++++
gnu/packages/python-science.scm | 73 --------------------------------------
2 files changed, 77 insertions(+), 73 deletions(-)
diff --git a/gnu/packages/physics.scm b/gnu/packages/physics.scm
index 1e6cc9a69a..d9f0f80b58 100644
--- a/gnu/packages/physics.scm
+++ b/gnu/packages/physics.scm
@@ -28,10 +28,14 @@
#:use-module (guix packages)
#:use-module (guix utils)
#:use-module (gnu packages)
+ #:use-module (gnu packages build-tools)
#:use-module (gnu packages check)
#:use-module (gnu packages cmake)
#:use-module (gnu packages gcc)
+ #:use-module (gnu packages machine-learning)
#:use-module (gnu packages maths)
+ #:use-module (gnu packages ninja)
+ #:use-module (gnu packages pkg-config)
#:use-module (gnu packages python)
#:use-module (gnu packages python-build)
#:use-module (gnu packages python-check)
@@ -302,3 +306,76 @@ of crystal structures. It automatically detects Bravais
lattice types and
generates k-point labels and band paths following crystallographic
conventions.")
(license license:expat)))
+
+(define-public python-euphonic
+ (package
+ (name "python-euphonic")
+ (version "1.4.5")
+ (source
+ (origin
+ (method git-fetch)
+ (uri (git-reference
+ (url "https://github.com/pace-neutrons/Euphonic.git";)
+ (commit (string-append "v" version))))
+ (file-name (git-file-name name version))
+ (sha256
+ (base32 "1n3w2acwi9x1v4wavigrd0qwd559rx6aaz0xknhd4gnbqwzn05qp"))))
+ (build-system pyproject-build-system)
+ (arguments
+ (list
+ #:phases
+ #~(modify-phases %standard-phases
+ (add-before 'build 'fix-numpy-include
+ (lambda* (#:key inputs #:allow-other-keys)
+ (let ((numpy (assoc-ref inputs "python-numpy")))
+ ;; Patch meson.build to use the correct numpy include path
+ (substitute* "meson.build"
+ (("np_inc =
include_directories\\(py\\.get_path\\('platlib'\\) / 'numpy/core/include'\\)")
+ (string-append "np_inc = include_directories('"
+ numpy
"/lib/python3.11/site-packages/numpy/core/include')"))))))
+ (add-before 'build 'fix-lazy-fixture
+ (lambda _
+ ;; Migrate from pytest-lazy-fixture to pytest-lazy-fixtures.
+ ;; Add import and replace pytest.lazy_fixture with lf.
+ (for-each
+ (lambda (file)
+ (substitute* file
+ (("^import pytest" all)
+ (string-append "from pytest_lazy_fixtures import lf\n"
all))
+ (("pytest\\.lazy_fixture")
+ "lf")))
+ (find-files "tests_and_analysis" "\\.py$"))))
+ ;; Run tests after install so the C extension is available.
+ (delete 'check)
+ (add-after 'install 'check
+ (lambda* (#:key tests? inputs outputs #:allow-other-keys)
+ (when tests?
+ (add-installed-pythonpath inputs outputs)
+ ;; Remove source euphonic dir so tests use installed package.
+ (delete-file-recursively "euphonic")
+ (invoke "pytest" "-vv" "tests_and_analysis")))))))
+ (propagated-inputs
+ (list python-brille ; optional
+ python-h5py ; optional, for phonopy-reader
+ python-matplotlib ; optional
+ python-pyyaml ; optional, for phonopy-reader
+ python-numpy
+ python-scipy
+ python-pint
+ python-seekpath
+ python-spglib
+ python-threadpoolctl
+ python-toolz))
+ (native-inputs
+ ;; Note: build-backend is mesonpy.
+ (list meson-python ninja python-numpy python-packaging python-pytest
+ python-pytest-lazy-fixtures python-pytest-mock
+ pkg-config))
+ (home-page "https://github.com/pace-neutrons/Euphonic";)
+ (synopsis "Phonon calculations for inelastic neutron scattering")
+ (description
+ "Euphonic is a Python package for calculating phonon bandstructures and
+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+)))
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index 5fe4f0fe12..5044ef6c2b 100644
--- a/gnu/packages/python-science.scm
+++ b/gnu/packages/python-science.scm
@@ -6534,79 +6534,6 @@ Organization (ORSO). It includes utilities for working
with reflectometry
data files and the ORSO file format.")
(license license:expat)))
-(define-public python-euphonic
- (package
- (name "python-euphonic")
- (version "1.4.5")
- (source
- (origin
- (method git-fetch)
- (uri (git-reference
- (url "https://github.com/pace-neutrons/Euphonic.git";)
- (commit (string-append "v" version))))
- (file-name (git-file-name name version))
- (sha256
- (base32 "1n3w2acwi9x1v4wavigrd0qwd559rx6aaz0xknhd4gnbqwzn05qp"))))
- (build-system pyproject-build-system)
- (arguments
- (list
- #:phases
- #~(modify-phases %standard-phases
- (add-before 'build 'fix-numpy-include
- (lambda* (#:key inputs #:allow-other-keys)
- (let ((numpy (assoc-ref inputs "python-numpy")))
- ;; Patch meson.build to use the correct numpy include path
- (substitute* "meson.build"
- (("np_inc =
include_directories\\(py\\.get_path\\('platlib'\\) / 'numpy/core/include'\\)")
- (string-append "np_inc = include_directories('"
- numpy
"/lib/python3.11/site-packages/numpy/core/include')"))))))
- (add-before 'build 'fix-lazy-fixture
- (lambda _
- ;; Migrate from pytest-lazy-fixture to pytest-lazy-fixtures.
- ;; Add import and replace pytest.lazy_fixture with lf.
- (for-each
- (lambda (file)
- (substitute* file
- (("^import pytest" all)
- (string-append "from pytest_lazy_fixtures import lf\n"
all))
- (("pytest\\.lazy_fixture")
- "lf")))
- (find-files "tests_and_analysis" "\\.py$"))))
- ;; Run tests after install so the C extension is available.
- (delete 'check)
- (add-after 'install 'check
- (lambda* (#:key tests? inputs outputs #:allow-other-keys)
- (when tests?
- (add-installed-pythonpath inputs outputs)
- ;; Remove source euphonic dir so tests use installed package.
- (delete-file-recursively "euphonic")
- (invoke "pytest" "-vv" "tests_and_analysis")))))))
- (propagated-inputs
- (list python-brille ; optional
- python-h5py ; optional, for phonopy-reader
- python-matplotlib ; optional
- python-pyyaml ; optional, for phonopy-reader
- python-numpy
- python-scipy
- python-pint
- python-seekpath
- python-spglib
- python-threadpoolctl
- python-toolz))
- (native-inputs
- ;; Note: build-backend is mesonpy.
- (list meson-python ninja python-numpy python-packaging python-pytest
- python-pytest-lazy-fixtures python-pytest-mock
- pkg-config))
- (home-page "https://github.com/pace-neutrons/Euphonic";)
- (synopsis "Phonon calculations for inelastic neutron scattering")
- (description
- "Euphonic is a Python package for calculating phonon bandstructures and
-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+)))
-
;;;
;;; 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
