Add basic KOKKOS support to CMake build (acd315e9) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+58 −1

Original line number	Diff line number	Diff line
		@@ -4,6 +4,7 @@ project(lammps)
		set(SOVERSION 0)
		set(LAMMPS_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../src)
		set(LAMMPS_LIB_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../lib)
		set(LAMMPS_LIB_BINARY_DIR ${CMAKE_BINARY_DIR}/lib)

		# Cmake modules/macros are in a subdirectory to keep this file cleaner
		set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/Modules)
		@@ -47,7 +48,7 @@ foreach(PKG ${PACKAGES})
		option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})
		endforeach()

		set(ACCEL_PACKAGES USER_OMP)
		set(ACCEL_PACKAGES USER_OMP KOKKOS)
		foreach(PKG ${ACCEL_PACKAGES})
		option(ENABLE_${PKG} "Build ${PKG} Package" OFF)
		endforeach()
		@@ -61,6 +62,24 @@ if(ENABLE_KSPACE)
		endif()
		endif()

		if(ENABLE_KOKKOS)
		# starting with CMake 3.1 this is all you have to do to enforce C++11
		set (CMAKE_CXX_STANDARD 11)
		set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)
		set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)
		add_definitions(-DLMP_KOKKOS)
		add_subdirectory(${LAMMPS_LIB_KOKKOS_SRC_DIR} ${LAMMPS_LIB_KOKKOS_BIN_DIR})
		message("KOKKOS_DIRS: ${Kokkos_INCLUDE_DIRS}")

		# TODO there probably is a better way
		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_LIBRARIES})
		endif()

		find_package(JPEG)
		if(JPEG_FOUND)
		add_definitions(-DLAMMPS_JPEG)
		@@ -166,6 +185,38 @@ if(ENABLE_USER_OMP)
		include_directories(${USER_OMP_SOURCES_DIR})
		endif()

		if(ENABLE_KOKKOS)
		find_package(OpenMP REQUIRED)
		if (OPENMP_FOUND)
		set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
		else()
		message(FATAL_ERROR "USER-OMP requires a compiler with OpenMP support")
		endif()

		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}/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}/domain_kokkos.cpp
		${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)
		set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")

		# detects styles which have KOKKOS version
		RegisterStylesExt(${KOKKOS_PKG_SOURCES_DIR} kokkos KOKKOS_PKG_SOURCES)

		get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)

		list(APPEND LIB_SOURCES ${KOKKOS_PKG_SOURCES})
		include_directories(${KOKKOS_PKG_SOURCES_DIR})
		endif()


		if(ENABLE_REAX)
		enable_language(Fortran)
		@@ -190,6 +241,11 @@ include_directories(${LAMMPS_STYLE_HEADERS_DIR})
		add_library(lammps ${LIB_SOURCES})
		target_link_libraries(lammps ${LAMMPS_LINK_LIBS})
		set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION})

		if(ENABLE_KOKKOS)
		target_link_libraries(lammps kokkos)
		endif()

		if(INSTALL_LIB)
		install(TARGETS lammps LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})
		install(FILES ${LAMMPS_SOURCE_DIR}/lammps.h DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
		@@ -199,6 +255,7 @@ endif()

		add_executable(lmp ${LMP_SOURCES})
		target_link_libraries(lmp lammps)

		install(TARGETS lmp DESTINATION ${CMAKE_INSTALL_BINDIR})

		foreach(PKG ${PACKAGES} ${ACCEL_PACKAGES})

Admin message