openmolcas: 22.10 -> 23.02

pkgs/applications/science/chemistry/openmolcas/MKL-MPICH.patch

@@ -1,24 +0,0 @@
-diff --git a/CMakeLists.txt b/CMakeLists.txt
-index 276ae4e..5e56176 100644
---- a/CMakeLists.txt
-+++ b/CMakeLists.txt
-@@ -1304,9 +1304,9 @@ if (LINALG STREQUAL "MKL")
-       endif ()
-     else ()
-       if (ADDRMODE EQUAL 64)
--        set (libpath "${MKLROOT}/lib/intel64")
-+        set (libpath "${MKLROOT}/lib")
-       elseif (ADDRMODE EQUAL 32)
--        set (libpath "${MKLROOT}/lib/ia32")
-+        set (libpath "${MKLROOT}/lib")
-       endif ()
-     endif ()
-     set (MKL_LIBRARY_PATH ${libpath} CACHE PATH "location of MKL libraries." FORCE)
-@@ -1380,7 +1380,7 @@ if (LINALG STREQUAL "MKL")
-     find_library (LIBMKL_BLACS NAMES "mkl_blacs_intelmpi_ilp64"
-                   PATHS ${MKL_LIBRARY_PATH} NO_DEFAULT_PATH)
-   elseif (MPI_IMPLEMENTATION STREQUAL "mpich")
--    find_library (LIBMKL_BLACS NAMES "mkl_blacs_ilp64"
-+    find_library (LIBMKL_BLACS NAMES "mkl_blacs_intelmpi_ilp64"
-                   PATHS ${MKL_LIBRARY_PATH} NO_DEFAULT_PATH)
-   endif ()

pkgs/applications/science/chemistry/openmolcas/default.nix

@@ -15,21 +15,19 @@ let
 
 in stdenv.mkDerivation {
   pname = "openmolcas";
-  version = "22.10";
+  version = "23.02";
 
   src = fetchFromGitLab {
     owner = "Molcas";
     repo = "OpenMolcas";
     # The tag keeps moving, fix a hash instead
-    rev = "aedb15be52d6dee285dd3e10e9d05f44e4ca969a"; # 2022-10-22
-    sha256 = "sha256-7d2wBIEg/r5bPZXlngTIZxYdMN0UIop7TA+WFZmzCo8=";
+    rev = "03265f62cd98b985712b063aea88313f984a8857"; # 2023-02-11
+    sha256 = "sha256-Kj2RDJq8PEvKclLrSYIOdl6g6lcRsTNZCjwxGOs3joY=";
   };
 
   patches = [
     # Required to handle openblas multiple outputs
     ./openblasPath.patch
-    # Required for MKL builds
-    ./MKL-MPICH.patch
   ];
 
   postPatch = ''