101 lines
5.0 KiB
CMake
101 lines
5.0 KiB
CMake
if(PKG_KOKKOS)
|
|
option(EXTERNAL_KOKKOS "Build against external kokkos library" OFF)
|
|
option(DOWNLOAD_KOKKOS "Download the KOKKOS library instead of using the bundled one" OFF)
|
|
if(DOWNLOAD_KOKKOS)
|
|
if(CMAKE_VERSION VERSION_LESS 3.11)
|
|
message(FATAL_ERROR "Downloading kokkos currently only works with cmake-3.11 and higher")
|
|
endif()
|
|
message(STATUS "KOKKOS download requested - we will build our own")
|
|
# Workaround for cross compilation with MinGW where ${CMAKE_INSTALL_LIBDIR}
|
|
# is a full path, so we need to remove the prefix
|
|
string(REPLACE ${CMAKE_INSTALL_PREFIX} "" _KOKKOS_LIBDIR ${CMAKE_INSTALL_LIBDIR})
|
|
file(DOWNLOAD https://github.com/kokkos/kokkos/compare/3.0.00...stanmoore1:lammps.diff ${CMAKE_CURRENT_BINARY_DIR}/kokkos-lammps.patch)
|
|
include(ExternalProject)
|
|
ExternalProject_Add(kokkos_build
|
|
URL https://github.com/kokkos/kokkos/archive/3.0.00.tar.gz
|
|
URL_MD5 281c7093aa3a603276e93abdf4be23b9
|
|
PATCH_COMMAND patch -p1 < ${CMAKE_CURRENT_BINARY_DIR}/kokkos-lammps.patch
|
|
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC}
|
|
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
|
|
-DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE}
|
|
BUILD_BYPRODUCTS <INSTALL_DIR>/${_KOKKOS_LIBDIR}/libkokkoscore.a
|
|
)
|
|
list(APPEND LAMMPS_DEPS kokkos_build)
|
|
ExternalProject_get_property(kokkos_build INSTALL_DIR)
|
|
set(KOKKOS_LIBRARIES ${INSTALL_DIR}/${_KOKKOS_LIBDIR}/libkokkoscore.a)
|
|
set(KOKKOS_INCLUDE_DIRS ${INSTALL_DIR}/include)
|
|
include_directories(${KOKKOS_INCLUDE_DIRS})
|
|
list(APPEND LAMMPS_LINK_LIBS ${KOKKOS_LIBRARIES} ${CMAKE_DL_LIBS})
|
|
elseif(EXTERNAL_KOKKOS)
|
|
find_package(Kokkos 3)
|
|
if(NOT Kokkos_FOUND)
|
|
message(FATAL_ERROR "KOKKOS library not found, help CMake to find it by setting KOKKOS_LIBRARY, or set DOWNLOAD_KOKKOS=ON to download it")
|
|
endif()
|
|
list(APPEND LAMMPS_LINK_LIBS Kokkos::kokkos)
|
|
else()
|
|
set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)
|
|
set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)
|
|
add_subdirectory(${LAMMPS_LIB_KOKKOS_SRC_DIR} ${LAMMPS_LIB_KOKKOS_BIN_DIR})
|
|
|
|
set(Kokkos_INCLUDE_DIRS ${LAMMPS_LIB_KOKKOS_SRC_DIR}/core/src
|
|
${LAMMPS_LIB_KOKKOS_SRC_DIR}/containers/src
|
|
${LAMMPS_LIB_KOKKOS_SRC_DIR}/algorithms/src
|
|
${LAMMPS_LIB_KOKKOS_BIN_DIR})
|
|
include_directories(${Kokkos_INCLUDE_DIRS})
|
|
list(APPEND LAMMPS_LINK_LIBS kokkos)
|
|
endif()
|
|
add_definitions(-DLMP_KOKKOS)
|
|
|
|
set(KOKKOS_PKG_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/KOKKOS)
|
|
set(KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/atom_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/atom_vec_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/comm_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/comm_tiled_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/min_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/min_linesearch_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/neighbor_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/neigh_list_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/neigh_bond_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/fix_nh_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/npair_halffull_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/domain_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)
|
|
|
|
if(PKG_KSPACE)
|
|
list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/fft3d_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/gridcomm_kokkos.cpp
|
|
${KOKKOS_PKG_SOURCES_DIR}/remap_kokkos.cpp)
|
|
if(KOKKOS_ENABLE_CUDA)
|
|
if(NOT ${FFT} STREQUAL "KISS")
|
|
add_definitions(-DFFT_CUFFT)
|
|
list(APPEND LAMMPS_LINK_LIBS cufft)
|
|
endif()
|
|
endif()
|
|
endif()
|
|
|
|
set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
|
|
|
|
# detects styles which have KOKKOS version
|
|
RegisterStylesExt(${KOKKOS_PKG_SOURCES_DIR} kokkos KOKKOS_PKG_SOURCES)
|
|
|
|
# register kokkos-only styles
|
|
RegisterNBinStyle(${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.h)
|
|
RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.h)
|
|
RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_halffull_kokkos.h)
|
|
|
|
if(PKG_USER-DPD)
|
|
get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
|
|
list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.cpp)
|
|
RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.h)
|
|
set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
|
|
endif()
|
|
|
|
get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
|
|
|
|
list(APPEND LIB_SOURCES ${KOKKOS_PKG_SOURCES})
|
|
include_directories(${KOKKOS_PKG_SOURCES_DIR})
|
|
endif()
|