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CMake: Rewrite FindMKL.cmake #7595

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CMake: Rewrite FindMKL.cmake #7595

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fb505c2
Rewrite FindMKL.cmake
Growl1234 Jul 6, 2026
9ff41d8
Report MKL BLACS interface; block mkl_threads with non-OpenMP build
Growl1234 Jul 8, 2026
ffd4a06
Remove cache variable MKL_THREADING
Growl1234 Jul 8, 2026
28ffd83
Block MKL_BLACS auto-detection when cross-compiling
Growl1234 Jul 8, 2026
f263a44
Hide oneMKL internal result variables
Growl1234 Jul 8, 2026
c475041
Use MKL_FOUND for oneMKL consumers
Growl1234 Jul 8, 2026
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12 changes: 8 additions & 4 deletions CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -335,6 +335,12 @@ if(DEBUG_INFO)
endif()

if(ENABLE_MPI)
if(NOT CMAKE_CROSSCOMPILING)
# FindMPI runs a probe executable to determine the MPI library version,
# which FindMKL.cmake uses to auto-detect the BLACS interface.
# When cross compiling, assume users know what they are doing.
set(MPI_DETERMINE_LIBRARY_VERSION TRUE)
endif()
find_package(MPI COMPONENTS CXX REQUIRED)
abacus_add_feature_definitions(__MPI)
endif()
Expand Down Expand Up @@ -542,9 +548,7 @@ if(USE_KML)

find_package(KML REQUIRED COMPONENTS ${_kml_components})
abacus_add_feature_definitions(__KML)
elseif(MKLROOT)
set(MKL_INTERFACE lp64)
set(ENABLE_SCALAPACK ON)
elseif(MKLROOT OR MKL_ROOT)
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Growl1234 marked this conversation as resolved.
find_package(MKL REQUIRED)
abacus_add_feature_definitions(__MKL)
elseif(NOT USE_SW)
Expand All @@ -560,7 +564,7 @@ elseif(NOT USE_SW)
endif()
endif()

if(NOT USE_KML AND NOT MKLROOT AND NOT USE_SW)
if(NOT USE_KML AND NOT MKL_FOUND AND NOT USE_SW)
find_package(FFTW3 REQUIRED)
endif()

Expand Down
6 changes: 3 additions & 3 deletions cmake/CollectBuildInfoVars.cmake
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Original file line number Diff line number Diff line change
Expand Up @@ -165,7 +165,7 @@ else()
set(ABACUS_ELPA_VERSION "no")
endif()

if(MKLROOT)
if(MKL_FOUND)
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set(ABACUS_MKL_SUPPORT "yes (version unknown)")
find_path(MKL_VERSION_HEADER mkl_version.h PATHS ${MKL_INCLUDE} NO_DEFAULT_PATH)
if(MKL_VERSION_HEADER)
Expand All @@ -190,9 +190,9 @@ else()
set(ABACUS_LIBXC_VERSION "no")
endif()

if(NOT USE_SW AND NOT MKLROOT AND FFTW3_VERSION)
if(NOT USE_SW AND NOT MKL_FOUND AND FFTW3_VERSION)
set(ABACUS_FFTW_VERSION "yes (v${FFTW3_VERSION})")
elseif(NOT USE_SW AND NOT MKLROOT)
elseif(NOT USE_SW AND NOT MKL_FOUND)
if(FFTW3_INCLUDE_DIR AND EXISTS "${FFTW3_INCLUDE_DIR}/fftw3.h")
file(STRINGS "${FFTW3_INCLUDE_DIR}/fftw3.h" _fftw_ver_line REGEX "^#define[\t ]+FFTW_VERSION[\t ]+\"[^\"]+\"")
if(_fftw_ver_line)
Expand Down
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