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pyscf: 2.1.1 -> 2.2.0

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This commit is contained in:
Phillip Seeber 2023-03-16 10:41:06 +01:00
parent 8e886a7328
commit ac7245feed
1 changed files with 2 additions and 9 deletions
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11
pkgs/development/python-modules/pyscf/default.nix
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@ -1,7 +1,6 @@
{ buildPythonPackage
, lib
, fetchFromGitHub
, fetchpatch
, cmake
, blas
, libcint
@ -17,21 +16,15 @@
buildPythonPackage rec {
pname = "pyscf";
version = "2.1.1";
version = "2.2.0";
src = fetchFromGitHub {
owner = "pyscf";
repo = pname;
rev = "v${version}";
hash = "sha256-KMxwyAK00Zc0i76zWTMznfXQCVCt+4HOH8SlwuOCORk=";
hash = "sha256-3ylFz5j176hBQLklLmVKltE8whynzojsoBEWjEL2M14=";
};
patches = [ (fetchpatch {
name = "libxc-6"; # https://github.com/pyscf/pyscf/pull/1467
url = "https://github.com/pyscf/pyscf/commit/ebcfacc90e119cd7f9dcdbf0076a84660349fc79.patch";
hash = "sha256-O+eDlUKJeThxQcHrMGqxjDfRCmCNP+OCgv/L72jAF/o=";
})];
# setup.py calls Cmake and passes the arguments in CMAKE_CONFIGURE_ARGS to cmake.
nativeBuildInputs = [ cmake ];
dontUseCmakeConfigure = true;