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| author | Sharlatan Hellseher <sharlatanus@gmail.com> | 2025-12-15 00:58:49 +0000 |
|---|---|---|
| committer | Rutherther <rutherther@ditigal.xyz> | 2026-01-25 21:19:21 +0100 |
| commit | 9a1f731257c064ef40d47c32eb74c83ca4fb657f (patch) | |
| tree | 798a59ff4470e15d10e8120e7c85b2c76b7e81b4 /gnu/packages/python-science.scm | |
| parent | 761c0a21a1a900e276aaf586f6ae11929e1c5422 (diff) | |
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
Signed-off-by: Rutherther <rutherther@ditigal.xyz>
Diffstat (limited to 'gnu/packages/python-science.scm')
| -rw-r--r-- | gnu/packages/python-science.scm | 22 |
1 files changed, 15 insertions, 7 deletions
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm index c395d90dd00..9c625ab3731 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 |