From 8660fdf5140d46029a6ba6f0bc0c568980c3d6f1 Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@uni-jena.de>
Date: Thu, 17 Aug 2023 10:20:19 +0200
Subject: [PATCH] pyscf: 2.2.0 -> 2.3.0

---
 pkgs/development/python-modules/pyscf/default.nix | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/pkgs/development/python-modules/pyscf/default.nix b/pkgs/development/python-modules/pyscf/default.nix
index cc17d141be66..29f795560d41 100644
--- a/pkgs/development/python-modules/pyscf/default.nix
+++ b/pkgs/development/python-modules/pyscf/default.nix
@@ -16,13 +16,13 @@
 
 buildPythonPackage rec {
   pname = "pyscf";
-  version = "2.2.0";
+  version = "2.3.0";
 
   src = fetchFromGitHub {
     owner = "pyscf";
     repo = pname;
     rev = "v${version}";
-    hash = "sha256-3ylFz5j176hBQLklLmVKltE8whynzojsoBEWjEL2M14=";
+    hash = "sha256-x693NB0oc9X7SuDZlV3VKOmgnIgKA39O9yswDM0outk=";
   };
 
   # setup.py calls Cmake and passes the arguments in CMAKE_CONFIGURE_ARGS to cmake.
@@ -81,6 +81,10 @@ buildPythonPackage rec {
       -e libxc_cam_beta_bug \
       -e test_finite_diff_rks_eph \
       -e test_finite_diff_uks_eph \
+      -e test_finite_diff_roks_grad \
+      -e test_finite_diff_df_roks_grad \
+      -e test_frac_particles \
+      -e test_nosymm_sa4_newton \
       -e test_pipek \
       -e test_n3_cis_ewald \
       -e test_veff \