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py-pyscf: add v2.9.0 (#50350)

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* py-pyscf: add v2.9.0
* Remove cmake 4 conflict
* require setuptools 61.0+
This commit is contained in:
Paul R. C. Kent 2025-05-16 01:08:55 -04:00 committed by GitHub
parent ff86b3acdd
commit 0f44e42a70
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1 changed files with 4 additions and 1 deletions
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var/spack/repos/spack_repo/builtin/packages/py_pyscf/package.py
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@ -17,6 +17,7 @@ class PyPyscf(PythonPackage):
license("Apache-2.0")
version("2.9.0", sha256="821dc882f3a5485d8f202abb093330cf1497b26767ba2a1a63b7fa600ddc58a3")
version("2.8.0", sha256="db720372e7f7d1aa2df0fb90c07f483da363730197c937a6378952d34b6abf3d")
version("2.7.0", sha256="ca8efc2f28d72c3130f26a967e7fa8d0bbc4a6b47d16a7c4c732ec85a31b7eec")
version("2.6.2", sha256="744c89a8e4d38c4b5562f75fa68f9d079faeb23602d255fba0eb6d1bac97bca2")
@ -33,7 +34,8 @@ class PyPyscf(PythonPackage):
version("1.7.5", sha256="52856b39f0ada2f6340757caa65dc5c1d9a3cdfceea2a6615ad8af92664a6c69")
version("1.7.3", sha256="62a26146a222140395b276ea33182f87809a21989ddcf78e2dcb8e35ebc57af2")
depends_on("c", type="build") # generated
depends_on("c", type="build")
depends_on("cxx", type="build")
# dependencies
depends_on("cmake@3.10:", type="build", when="@2.1:")
@ -41,6 +43,7 @@ class PyPyscf(PythonPackage):
depends_on("python@3.6:", type=("build", "run"), when="@2.1:")
depends_on("python@2.6:", type=("build", "run"))
depends_on("py-setuptools", type="build")
depends_on("py-setuptools@61.0:", type="build", when="@2.9.0:")
depends_on("py-numpy@1.8.0:", type=("build", "run"))
depends_on("py-numpy@1.13.0:", type=("build", "run"), when="@2:")
depends_on("py-numpy@1", type=("build", "run"), when="@:2.6.0")