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mirror of https://git.savannah.gnu.org/git/guix.git synced 2026-04-06 21:20:33 +02:00

gnu: python-pyscf: Update to 2.12.1.

* gnu/packages/chemistry.scm (python-pyscf): Update to 2.12.1.
[arguments] <modules>: Drop all.
[native-inputs]: Remove (canonical-package gcc) and python-wheel.

Change-Id: Ib139be65ee8b32a67fdba937c99acaa0636f42f4
This commit is contained in:
Sharlatan Hellseher
2026-03-26 13:47:25 +00:00
parent 8e4bda2009
commit fa02c5df4d

View File

@@ -825,7 +825,7 @@ colleagues, or to generate pre-rendered animations.")
(define-public python-pyscf
(package
(name "python-pyscf")
(version "2.9.0")
(version "2.12.1")
(source
(origin
(method git-fetch)
@@ -834,14 +834,10 @@ colleagues, or to generate pre-rendered animations.")
(commit (string-append "v" version))))
(file-name (git-file-name name version))
(sha256
(base32 "1lj48c749aqf9zd5xbshjsfr0y972r2nsm8lf3760jbfadg9jdsi"))))
(base32 "00q5c0r5yzp05m65679164s7jzm9678b63msm8g7953vh8v9g25y"))))
(build-system pyproject-build-system)
(arguments
(list
#:modules
'((guix build pyproject-build-system)
(guix build utils)
(ice-9 textual-ports))
;; Some tests take a very long time and libxc support is not enabled.
#:tests? #f
#:phases
@@ -867,16 +863,8 @@ colleagues, or to generate pre-rendered animations.")
"-DBUILD_XCFUN=OFF"
"-DBUILD_LIBCINT=OFF"))))))))
(native-inputs
(list
cmake-minimal
;; HACK: Add gcc, make tune work.
;; build-system-with-tuning-compiler on guix/transformations.scm
;; want to find compiler on the build-inputs, but gcc is on the
;; python-build-system's host-inputs, so when tune it , will report:
;; "failed to determine which compiler is used"
(canonical-package gcc)
python-setuptools
python-wheel))
(list cmake-minimal
python-setuptools))
(inputs
(list
;; Use qcint when tuning for x86_64.