From c810f7befc3f6642ebeaf68cdc9e9e0c90a42559 Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@googlemail.com>
Date: Fri, 12 Nov 2021 11:52:30 +0100
Subject: [PATCH] openmolcas: 20.06 -> 20.10

---
 .../science/chemistry/openmolcas/default.nix           | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/pkgs/applications/science/chemistry/openmolcas/default.nix b/pkgs/applications/science/chemistry/openmolcas/default.nix
index 3cd991796989..1c3203354873 100644
--- a/pkgs/applications/science/chemistry/openmolcas/default.nix
+++ b/pkgs/applications/science/chemistry/openmolcas/default.nix
@@ -5,9 +5,9 @@
 } :
 
 let
-  version = "21.06";
+  version = "21.10";
   # The tag keeps moving, fix a hash instead
-  gitLabRev = "dd982ad4bc94dec8ac1e3e99cb6a7dd249ff71de";
+  gitLabRev = "117305462bac932106e8e3a0347238b768bcb058";
 
   python = python3.withPackages (ps : with ps; [ six pyparsing ]);
 
@@ -19,7 +19,7 @@ in stdenv.mkDerivation {
     owner = "Molcas";
     repo = "OpenMolcas";
     rev = gitLabRev;
-    sha256 = "07dm73n0s7ckif561yb3s9yqxsv39a73kb9qwny4yp39wdvv52hz";
+    sha256 = "sha256-GMi2dsNBog+TmpmP6fhQcp6Z5Bh2LelV//MqLnvRP5c=";
   };
 
   patches = [
@@ -56,7 +56,9 @@ in stdenv.mkDerivation {
     "-DOPENBLASROOT=${openblas.dev}"
   ];
 
-  GAROOT=globalarrays;
+  preConfigure = ''
+    export GAROOT=${globalarrays};
+  '';
 
   postConfigure = ''
     # The Makefile will install pymolcas during the build grrr.