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nixpkgs/pkgs/applications/science/chemistry/openmolcas/MKL-MPICH.patch
Markus Kowalewski 45083c5d1d
openmolcas: 21.10 -> 22.02
* make MPI optional instead of default
* allow optional MKL build/switch wrapped BLAS interface
2022-05-13 17:06:11 +02:00

25 lines
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Diff

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 ()