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Merge pull request #318019 from sheepforce/pyscf-update

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python3Packages.pyscf: 2.5.0 -> 2.6.0
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Markus Kowalewski 2024-06-08 12:26:06 +00:00 committed by GitHub
commit 9227967239
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1 changed files with 4 additions and 4 deletions
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8
pkgs/development/python-modules/pyscf/default.nix
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@ -16,18 +16,18 @@
buildPythonPackage rec {
pname = "pyscf";
version = "2.5.0";
version = "2.6.0";
format = "setuptools";
src = fetchFromGitHub {
owner = "pyscf";
repo = pname;
rev = "refs/tags/v${version}";
hash = "sha256-UCchzoYsqeIGViewPf4KedmhYktXLmp5Me4lzb1i8p0=";
hash = "sha256-y1RQKxFfhOC6+vUMJiXexaZeYZhav5t30XP7jooJ//0=";
};
# setup.py calls Cmake and passes the arguments in CMAKE_CONFIGURE_ARGS to cmake.
nativeBuildInputs = [ cmake ];
build-system = [ cmake ];
dontUseCmakeConfigure = true;
preConfigure = ''
export CMAKE_CONFIGURE_ARGS="-DBUILD_LIBCINT=0 -DBUILD_LIBXC=0 -DBUILD_XCFUN=0"
@ -41,7 +41,7 @@ buildPythonPackage rec {
xcfun
];
propagatedBuildInputs = [
dependencies = [
cppe
h5py
numpy