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