From 8e886a73286d5bc20ea4c15e6d3059f470f3c2fb Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@uni-jena.de>
Date: Thu, 16 Mar 2023 10:40:43 +0100
Subject: [PATCH 1/2] libcint: 5.1.6 -> 5.2.1

---
 pkgs/development/libraries/libcint/default.nix | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/pkgs/development/libraries/libcint/default.nix b/pkgs/development/libraries/libcint/default.nix
index 09f9d8b420b9..7163c312ea92 100644
--- a/pkgs/development/libraries/libcint/default.nix
+++ b/pkgs/development/libraries/libcint/default.nix
@@ -9,13 +9,13 @@
 
 stdenv.mkDerivation rec {
   pname = "libcint";
-  version = "5.1.6";
+  version = "5.2.1";
 
   src = fetchFromGitHub {
     owner = "sunqm";
     repo = "libcint";
     rev = "v${version}";
-    hash = "sha256-vhi/VzT/WmkfWi+hliN60o7eT+XgDr7T/k8DG3N1moc=";
+    hash = "sha256-sFdigOlS5fAi2dV4dhcPg3roqFdvpnh580WDqTA6DGg=";
   };
 
   nativeBuildInputs = [ cmake ];

From ac7245feed8259f800a139e6c68bcd84101cac34 Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@uni-jena.de>
Date: Thu, 16 Mar 2023 10:41:06 +0100
Subject: [PATCH 2/2] pyscf: 2.1.1 -> 2.2.0

---
 pkgs/development/python-modules/pyscf/default.nix | 11 ++---------
 1 file changed, 2 insertions(+), 9 deletions(-)

diff --git a/pkgs/development/python-modules/pyscf/default.nix b/pkgs/development/python-modules/pyscf/default.nix
index e984e5767383..55c11fe8f9ef 100644
--- a/pkgs/development/python-modules/pyscf/default.nix
+++ b/pkgs/development/python-modules/pyscf/default.nix
@@ -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;