Added USER-OMP support to CMake build (5e841bfe) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+26 −2

Original line number	Diff line number	Diff line
		@@ -45,7 +45,7 @@ foreach(PKG ${PACKAGES})
		option(ENABLE_${PKG} "Build ${PKG} Package" OFF)
		endforeach()

		set(ACCEL_PACKAGES USER-OMP)
		set(ACCEL_PACKAGES USER_OMP)
		foreach(PKG ${ACCEL_PACKAGES})
		option(ENABLE_${PKG} "Build ${PKG} Package" OFF)
		endforeach()
		@@ -139,7 +139,31 @@ endforeach()
		# packages which selectively include variants based on enabled styles
		# e.g. accelerator packages

		# TODO
		if(ENABLE_USER_OMP)
		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(USER_OMP_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-OMP)
		set(USER_OMP_SOURCES ${USER_OMP_SOURCES_DIR}/thr_data.cpp
		${USER_OMP_SOURCES_DIR}/thr_omp.cpp
		${USER_OMP_SOURCES_DIR}/fix_nh_omp.cpp
		${USER_OMP_SOURCES_DIR}/fix_nh_sphere_omp.cpp)
		set_property(GLOBAL PROPERTY "OMP_SOURCES" "${USER_OMP_SOURCES}")

		# detects styles which have USER-OMP version
		RegisterStylesExt(${USER_OMP_SOURCES_DIR} omp OMP_SOURCES)

		get_property(USER_OMP_SOURCES GLOBAL PROPERTY OMP_SOURCES)

		list(APPEND LIB_SOURCES ${USER_OMP_SOURCES})
		include_directories(${USER_OMP_SOURCES_DIR})
		endif()


		if(ENABLE_REAX)
		enable_language(Fortran)

cmake/Modules/StyleHeaderUtils.cmake

+50 −0

Original line number	Diff line number	Diff line
		@@ -11,6 +11,33 @@ function(FindStyleHeaders path style_class file_pattern headers)
		set_property(GLOBAL PROPERTY ${headers} "${hlist}")
		endfunction(FindStyleHeaders)

		function(FindStyleHeadersExt path style_class extension headers sources)
		get_property(hlist GLOBAL PROPERTY ${headers})
		get_property(slist GLOBAL PROPERTY ${sources})
		set(ext_list)
		get_filename_component(abs_path "${path}" ABSOLUTE)

		foreach(file_name ${hlist})
		get_filename_component(basename ${file_name} NAME_WE)
		set(ext_file_name "${abs_path}/${basename}_${extension}.h")
		if(EXISTS "${ext_file_name}")
		file(STRINGS ${ext_file_name} is_style LIMIT_COUNT 1 REGEX ${style_class})
		if(is_style)
		list(APPEND ext_list ${ext_file_name})

		set(source_file_name "${abs_path}/${basename}_${extension}.cpp")
		if(EXISTS "${source_file_name}")
		list(APPEND slist ${source_file_name})
		endif()
		endif()
		endif()
		endforeach()

		list(APPEND hlist ${ext_list})
		set_property(GLOBAL PROPERTY ${headers} "${hlist}")
		set_property(GLOBAL PROPERTY ${sources} "${slist}")
		endfunction(FindStyleHeadersExt)

		function(CreateStyleHeader path filename)
		math(EXPR N "${ARGC}-2")

		@@ -57,6 +84,29 @@ function(RegisterStyles search_path)
		FindStyleHeaders(${search_path} REGION_CLASS region_ REGION ) # region ) # domain
		endfunction(RegisterStyles)

		function(RegisterStylesExt search_path extension sources)
		FindStyleHeadersExt(${search_path} ANGLE_CLASS ${extension} ANGLE ${sources})
		FindStyleHeadersExt(${search_path} ATOM_CLASS ${extension} ATOM_VEC ${sources})
		FindStyleHeadersExt(${search_path} BODY_CLASS ${extension} BODY ${sources})
		FindStyleHeadersExt(${search_path} BOND_CLASS ${extension} BOND ${sources})
		FindStyleHeadersExt(${search_path} COMMAND_CLASS ${extension} COMMAND ${sources})
		FindStyleHeadersExt(${search_path} COMPUTE_CLASS ${extension} COMPUTE ${sources})
		FindStyleHeadersExt(${search_path} DIHEDRAL_CLASS ${extension} DIHEDRAL ${sources})
		FindStyleHeadersExt(${search_path} DUMP_CLASS ${extension} DUMP ${sources})
		FindStyleHeadersExt(${search_path} FIX_CLASS ${extension} FIX ${sources})
		FindStyleHeadersExt(${search_path} IMPROPER_CLASS ${extension} IMPROPER ${sources})
		FindStyleHeadersExt(${search_path} INTEGRATE_CLASS ${extension} INTEGRATE ${sources})
		FindStyleHeadersExt(${search_path} KSPACE_CLASS ${extension} KSPACE ${sources})
		FindStyleHeadersExt(${search_path} MINIMIZE_CLASS ${extension} MINIMIZE ${sources})
		FindStyleHeadersExt(${search_path} NBIN_CLASS ${extension} NBIN ${sources})
		FindStyleHeadersExt(${search_path} NPAIR_CLASS ${extension} NPAIR ${sources})
		FindStyleHeadersExt(${search_path} NSTENCIL_CLASS ${extension} NSTENCIL ${sources})
		FindStyleHeadersExt(${search_path} NTOPO_CLASS ${extension} NTOPO ${sources})
		FindStyleHeadersExt(${search_path} PAIR_CLASS ${extension} PAIR ${sources})
		FindStyleHeadersExt(${search_path} READER_CLASS ${extension} READER ${sources})
		FindStyleHeadersExt(${search_path} REGION_CLASS ${extension} REGION ${sources})
		endfunction(RegisterStylesExt)

		function(GenerateStyleHeaders output_path)
		GenerateStyleHeader(${output_path} ANGLE angle ) # force
		GenerateStyleHeader(${output_path} ATOM_VEC atom ) # atom atom_vec_hybrid

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