From ceff926e7b35b15058a8e97ec67c91ee8f5e8197 Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@gmail.com>
Date: Tue, 10 Oct 2023 18:12:57 +0200
Subject: [PATCH] nwchem: 7.2.0 -> 7.2.1

---
 pkgs/applications/science/chemistry/nwchem/default.nix | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/pkgs/applications/science/chemistry/nwchem/default.nix b/pkgs/applications/science/chemistry/nwchem/default.nix
index d5c97aa17f92..062c61fa5c9e 100644
--- a/pkgs/applications/science/chemistry/nwchem/default.nix
+++ b/pkgs/applications/science/chemistry/nwchem/default.nix
@@ -54,13 +54,13 @@ let
 in
 stdenv.mkDerivation rec {
   pname = "nwchem";
-  version = "7.2.0";
+  version = "7.2.1";
 
   src = fetchFromGitHub {
     owner = "nwchemgit";
     repo = "nwchem";
     rev = "v${version}-release";
-    hash = "sha256-/biwHOSMGpdnYRGrGlDounKKLVaG2XkBgCmpE0IKR/Y=";
+    hash = "sha256-nnNTZ+c7VVGAqwOBMkBlW3rImNjs08Ne35XRkI3ssGo=";
   };
 
   nativeBuildInputs = [
@@ -106,6 +106,9 @@ stdenv.mkDerivation rec {
     # Overwrite script, skipping the download
     echo -e '#!/bin/sh\n cd ga-${versionGA};autoreconf -ivf' > src/tools/get-tools-github
 
+    # /usr/bin/env bash fails in sandbox/Makefile setting
+    substituteInPlace src/config/makefile.h --replace '/usr/bin/env bash' "${stdenv.shell}"
+
     patchShebangs ./
   '';