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authorDanny Milosavljevic <dannym@friendly-machines.com>2026-02-13 11:27:31 +0000
committerDanny Milosavljevic <dannym@friendly-machines.com>2026-02-21 21:52:39 +0100
commitd5653abf5470cf30876a6edb075ee30f7e1a8efd (patch)
tree7ef0ea0f128d5382930789e144182c042a86b5a6
parente5dacef22d499a7e75636862de1774cc46ae65f3 (diff)
gnu: Add python-gofit.
* gnu/packages/physics.scm (python-gofit): New variable. Change-Id: If134c0ea69eb76c62b1439b82a7474832938ff19
-rw-r--r--gnu/packages/physics.scm42
1 files changed, 42 insertions, 0 deletions
diff --git a/gnu/packages/physics.scm b/gnu/packages/physics.scm
index d9f0f80b582..9660c9619a5 100644
--- a/gnu/packages/physics.scm
+++ b/gnu/packages/physics.scm
@@ -28,6 +28,7 @@
#:use-module (guix packages)
#:use-module (guix utils)
#:use-module (gnu packages)
+ #:use-module (gnu packages algebra)
#:use-module (gnu packages build-tools)
#:use-module (gnu packages check)
#:use-module (gnu packages cmake)
@@ -124,6 +125,47 @@ bindings via pybind11 for use in phonon calculations and inelastic neutron
scattering simulations.")
(license license:agpl3+)))
+(define-public python-gofit
+ (package
+ (name "python-gofit")
+ (version "1.0.0")
+ (source
+ (origin
+ (method git-fetch)
+ (uri (git-reference
+ (url "https://github.com/ralna/gofit")
+ (commit (string-append "v" version))))
+ (file-name (git-file-name name version))
+ (sha256
+ (base32 "0x7kk97k4v1mzgs29z9i2yidjx4hmdwhng77178l564hn29k1c2b"))))
+ (build-system pyproject-build-system)
+ (arguments
+ (list
+ #:phases
+ #~(modify-phases %standard-phases
+ (add-after 'unpack 'fix-requirements
+ (lambda _
+ ;; pybind11[global] is a build-time dependency, not runtime.
+ ;; <https://github.com/pybind/python_example/issues/45>
+ (substitute* "setup.py"
+ (("install_requires=")
+ "setup_requires="))))
+ (replace 'check
+ (lambda* (#:key tests? #:allow-other-keys)
+ (when tests?
+ ;; test_multistart_ls.py needs cubic.txt in cwd
+ (copy-file "tests/cubic.txt" "cubic.txt")
+ (for-each (lambda (test)
+ (invoke "python" test))
+ (find-files "tests" "^test_.*\\.py$"))))))))
+ (native-inputs (list pybind11 python-setuptools cmake python-pytest
+ python-numpy))
+ (inputs (list eigen))
+ (home-page "https://github.com/ralna/gofit")
+ (synopsis "GOFit: Global Optimization for Fitting problems")
+ (description "GOFit: Global Optimization for Fitting problems.")
+ (license license:bsd-3)))
+
(define-public python-pycifrw
(package
(name "python-pycifrw")