add support for MSCG (95d9d323) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+29 −2

Original line number	Diff line number	Diff line
		@@ -42,7 +42,7 @@ option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF)

		option(ENABLE_ALL "Build all packages" OFF)
		set(PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GRANULAR
		KSPACE MANYBODY MC MEAM MISC MOLECULE MPIIO PYTHON RIGID REAX)
		KSPACE MANYBODY MC MEAM MISC MOLECULE MSCG MPIIO PYTHON RIGID REAX)
		foreach(PKG ${PACKAGES})
		option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})
		endforeach()
		@@ -169,7 +169,7 @@ if(ENABLE_REAX OR ENABLE_MEAM)
		endif()


		if(ENABLE_KOKKOS)
		if(ENABLE_KOKKOS OR ENABLE_MSCG)
		# starting with CMake 3.1 this is all you have to do to enforce C++11
		set(CMAKE_CXX_STANDARD 11) # C++11...
		set(CMAKE_CXX_STANDARD_REQUIRED ON) #...is required...
		@@ -195,6 +195,33 @@ if(ENABLE_MEAM)
		include_directories(${LAMMPS_LIB_SOURCE_DIR}/meam)
		endif()

		if(ENABLE_MSCG)
		find_package(GSL REQUIRED)
		find_package(LAPACK REQUIRED)
		set(LAMMPS_LIB_MSCG_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/mscg)
		set(MSCG_TARBALL ${LAMMPS_LIB_MSCG_BIN_DIR}/MS-CG-master.zip)
		set(LAMMPS_LIB_MSCG_BIN_DIR ${LAMMPS_LIB_MSCG_BIN_DIR}/MSCG-release-master/src)
		if(NOT EXISTS ${LAMMPS_LIB_MSCG_BIN_DIR})
		if(NOT EXISTS ${MSCG_TARBALL})
		message(STATUS "Downloading ${MSCG_TARBALL}")
		file(DOWNLOAD
		https://github.com/uchicago-voth/MSCG-release/archive/master.zip
		${MSCG_TARBALL} SHOW_PROGRESS) #EXPECTED_MD5 cannot be due due to master
		endif()
		message(STATUS "Unpacking ${MSCG_TARBALL}")
		execute_process(COMMAND ${CMAKE_COMMAND} -E tar xvf ${MSCG_TARBALL}
		WORKING_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/mscg)
		endif()
		file(GLOB MSCG_SOURCES ${LAMMPS_LIB_MSCG_BIN_DIR}/*.cpp)
		list(APPEND LIB_SOURCES ${MSCG_SOURCES})
		foreach(MSCG_SOURCE ${MSCG_SOURCES})
		set_property(SOURCE ${MSCG_SOURCE} APPEND PROPERTY COMPILE_DEFINITIONS
		DIMENSION=3 _exclude_gromacs=1)
		endforeach()
		include_directories(${LAMMPS_LIB_MSCG_BIN_DIR} ${GSL_INCLUDE_DIRS})
		list(APPEND LAMMPS_LINK_LIBS ${GSL_LIBRARIES} ${LAPACK_LIBRARIES})
		endif()

		######################################################################
		# packages which selectively include variants based on enabled styles
		# e.g. accelerator packages

Admin message