From 2eee4e4eac851a2846515dcfa3274c4ab92ecbe5 Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@fysik.su.se>
Date: Mon, 19 Oct 2020 14:11:19 +0200
Subject: [PATCH] openmolcas: 19.11 -> 20.10

---
 .../science/chemistry/openmolcas/default.nix    | 14 +++-----------
 .../chemistry/openmolcas/openblasPath.patch     | 17 ++++++++---------
 2 files changed, 11 insertions(+), 20 deletions(-)

diff --git a/pkgs/applications/science/chemistry/openmolcas/default.nix b/pkgs/applications/science/chemistry/openmolcas/default.nix
index 1b99fa40b567..8bc62da3a310 100644
--- a/pkgs/applications/science/chemistry/openmolcas/default.nix
+++ b/pkgs/applications/science/chemistry/openmolcas/default.nix
@@ -7,7 +7,7 @@
 assert blas.implementation == "openblas" && lapack.implementation == "openblas";
 
 let
-  version = "19.11";
+  version = "20.10";
   gitLabRev = "v${version}";
 
   python = python3.withPackages (ps : with ps; [ six pyparsing ]);
@@ -20,21 +20,13 @@ in stdenv.mkDerivation {
     owner = "Molcas";
     repo = "OpenMolcas";
     rev = gitLabRev;
-    sha256 = "1wwqhkyyi7pw5x1ghnp83ir17zl5jsj7phhqxapybyi3bmg0i00q";
+    sha256 = "1w8av44dx5r9yp2xhf9ypdrhappvk984wrd5pa1ww0qv6j2446ic";
   };
 
   patches = [
     # Required to handle openblas multiple outputs
     ./openblasPath.patch
-  (fetchpatch {
-    name = "Fix-MPI-INT-size"; # upstream patch, fixes a Fortran compiler error
-    url = "https://gitlab.com/Molcas/OpenMolcas/commit/860e3350523f05ab18e49a428febac8a4297b6e4.patch";
-    sha256 = "0h96h5ikbi5l6ky41nkxmxfhjiykkiifq7vc2s3fdy1r1siv09sb";
-  }) (fetchpatch {
-    name = "fix-cisandbox"; # upstream patch, fixes a Fortran compiler error
-    url = "https://gitlab.com/Molcas/OpenMolcas/commit/d871590c8ce4689cd94cdbbc618954c65589393d.patch";
-    sha256 = "0dgz1w2rkglnis76spai3m51qa72j4bz6ppnk5zmzrr6ql7gwpgg";
-  })];
+];
 
   nativeBuildInputs = [ perl cmake texlive.combined.scheme-minimal makeWrapper ];
   buildInputs = [
diff --git a/pkgs/applications/science/chemistry/openmolcas/openblasPath.patch b/pkgs/applications/science/chemistry/openmolcas/openblasPath.patch
index 62ffc8c4634b..e47adcc3e9a3 100644
--- a/pkgs/applications/science/chemistry/openmolcas/openblasPath.patch
+++ b/pkgs/applications/science/chemistry/openmolcas/openblasPath.patch
@@ -1,13 +1,12 @@
 diff --git a/CMakeLists.txt b/CMakeLists.txt
-index 055ff8ef..3f60279b 100644
+index 276ae4e2..db13e6e3 100644
 --- a/CMakeLists.txt
 +++ b/CMakeLists.txt
-@@ -1436,7 +1436,7 @@ if (LINALG STREQUAL "OpenBLAS")
-                 NAMES openblas
-                 PATHS ${OPENBLASROOT}
-                 PATH_SUFFIXES lib
--                NO_DEFAULT_PATH)
-+                )
+@@ -1507,7 +1507,6 @@ if (LINALG STREQUAL "OpenBLAS")
+     NAMES openblas
+     PATHS ${OPENBLASROOT}
+     PATH_SUFFIXES lib
+-    NO_DEFAULT_PATH
+   )
  
-         if (NOT LIBOPENBLAS)
-                 message (FATAL_ERROR
+   if (NOT LIBOPENBLAS)