guix_mirror_bot pushed a commit to branch python-team
in repository guix.
commit adc3353cee1853d3a7fa3acc2c385dbb4d2bc64f
Author: Sharlatan Hellseher <[email protected]>
AuthorDate: Mon Dec 15 00:58:49 2025 +0000
gnu: python-ase: Update to 3.26.0.
* gnu/packages/python-science.scm (python-ase): Update to 3.26.0.
[arguments] <test-flags>: Run tests in parallel up to 8 threads.
[native-inputs]: Remove python-wheel.
Change-Id: Ib2e5c9751f6c3358bb35084076f79586473da88f
---
gnu/packages/python-science.scm | 22 +++++++++++++++-------
1 file changed, 15 insertions(+), 7 deletions(-)
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index c395d90dd0..9c625ab373 100644
--- a/gnu/packages/python-science.scm
+++ b/gnu/packages/python-science.scm
@@ -446,26 +446,34 @@ of solids.")
(define-public python-ase
(package
(name "python-ase")
- (version "3.25.0")
+ (version "3.26.0")
(source
(origin
(method url-fetch)
(uri (pypi-uri "ase" version))
(sha256
- (base32 "1hk2r5042cs9shqv49w0jvf65wkyq74s6vc5drfz1275kz5ghk1p"))))
+ (base32 "0xahqqyxkxrjh1g23icydngrvc8iv3lnd4iys9i802jvfxas6wd0"))))
(build-system pyproject-build-system)
(arguments
- (list #:test-flags
- #~(list ;; DeprecationWarning.
+ (list
+ ;; tests: 2 failed, 2999 passed, 566 skipped, 5 xfailed, 47 warnings
+ #:test-flags
+ #~(list "--numprocesses" (number->string (min 8 (parallel-job-count)))
+ ;; DeprecationWarning.
"--deselect"
"ase/test/fio/test_espresso.py::test_pw_input_write_nested_flat"
;; UserWarning.
"--deselect"
"ase/test/fio/test_espresso.py::TestConstraints::test_fix_scaled")))
- (propagated-inputs (list python-matplotlib python-numpy python-scipy))
- (native-inputs (list python-pytest python-pytest-xdist python-setuptools
- python-wheel))
+ (native-inputs
+ (list python-pytest
+ python-pytest-xdist
+ python-setuptools))
(inputs (list spglib))
+ (propagated-inputs
+ (list python-matplotlib
+ python-numpy
+ python-scipy))
(home-page "https://wiki.fysik.dtu.dk/ase/";)
(synopsis "Atomic Simulation Environment")
(description "This package provides a set of tools and Python modules for
