added MKL support

if(ENABLE_KSPACE)

  find_package(FFTW3)

  find_package(MKL)

  if(FFTW3_FOUND)

    add_definitions(-DFFT_FFTW3)

    include_directories(${FFTW3_INCLUDE_DIRS})

    list(APPEND LAMMPS_LINK_LIBS ${FFTW3_LIBRARIES})

  elseif(MKL_FOUND)

    add_definitions(-DFFT_MKL)

    include_directories(${MKL_INCLUDE_DIRS})

    list(APPEND LAMMPS_LINK_LIBS ${MKL_LIBRARIES})

  endif()

  set(PACK_OPTIMIZATION "PACK_ARRAY" CACHE STRING "Optimization for FFT")

  set_property(CACHE LAMMPS_SIZE_LIMIT PROPERTY STRINGS PACK_ARRAY PACK_POINTER PACK_MEMCPY)

  if(NOT PACK_OPTIMIZATION STREQUAL "PACK_ARRAY")

    add_definitions(-D${PACK_OPTIMIZATION})

  endif()

endif()

if(ENABLE_MISC)

  option(LAMMPS_XDR "include XDR compatibility files for doing particle dumps in XTC format" OFF)

# - Find mkl

# Find the native MKL headers and libraries.

#

#  MKL_INCLUDE_DIRS - where to find mkl.h, etc.

#  MKL_LIBRARIES    - List of libraries when using mkl.

#  MKL_FOUND        - True if mkl found.

#

find_path(MKL_INCLUDE_DIR mkl_dfti.h HINTS $ENV{MKLROOT}/include)

find_library(MKL_LIBRARY NAMES mkl_rt HINTS $ENV{MKLROOT}/lib $ENV{MKLROOT}/lib/intel64)

set(MKL_LIBRARIES ${MKL_LIBRARY})

set(MKL_INCLUDE_DIRS ${MKL_INCLUDE_DIR})

include(FindPackageHandleStandardArgs)

# handle the QUIETLY and REQUIRED arguments and set MKL_FOUND to TRUE

# if all listed variables are TRUE

find_package_handle_standard_args(MKL DEFAULT_MSG MKL_LIBRARY MKL_INCLUDE_DIR)

mark_as_advanced(MKL_INCLUDE_DIR MKL_LIBRARY )