Merge pull request #24 from lammps/master (0af80bbb) · Commits · 郑智淋 / lammps

.gitignore

+2 −0

Original line number	Diff line number	Diff line
		*~
		*.o
		*.so
		*.lo
		*.cu_o
		*.ptx
		*_ptx.h
		@@ -32,6 +33,7 @@ log.cite
		.Trashes
		ehthumbs.db
		Thumbs.db
		.clang-format

		#cmake
		/build*

cmake/CMakeLists.txt

+43 −15

Original line number	Diff line number	Diff line
		@@ -43,6 +43,29 @@ function(validate_option name values)
		endif()
		endfunction(validate_option)

		function(get_lammps_version version_header variable)
		file(READ ${version_header} line)
		set(MONTHS x Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec)
		string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\1" day "${line}")
		string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\2" month "${line}")
		string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\3" year "${line}")
		string(STRIP ${day} day)
		string(STRIP ${month} month)
		string(STRIP ${year} year)
		list(FIND MONTHS "${month}" month)
		string(LENGTH ${day} day_length)
		string(LENGTH ${month} month_length)
		if(day_length EQUAL 1)
		set(day "0${day}")
		endif()
		if(month_length EQUAL 1)
		set(month "0${month}")
		endif()
		set(${variable} "${year}${month}${day}" PARENT_SCOPE)
		endfunction()

		get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h LAMMPS_VERSION)

		# Cmake modules/macros are in a subdirectory to keep this file cleaner
		set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/Modules)

		@@ -121,10 +144,10 @@ if(BUILD_LIB)
		if(BUILD_SHARED_LIBS) # for all pkg libs, mpi_stubs and linalg
		set(CMAKE_POSITION_INDEPENDENT_CODE ON)
		endif()
		set(LIB_SUFFIX "" CACHE STRING "Suffix to append to liblammps and pkg-config file")
		mark_as_advanced(LIB_SUFFIX)
		if(LIB_SUFFIX)
		set(LIB_SUFFIX "_${LIB_SUFFIX}")
		set(LAMMPS_LIB_SUFFIX "" CACHE STRING "Suffix to append to liblammps and pkg-config file")
		mark_as_advanced(LAMMPS_LIB_SUFFIX)
		if(LAMMPS_LIB_SUFFIX)
		set(LAMMPS_LIB_SUFFIX "_${LAMMPS_LIB_SUFFIX}")
		endif()
		endif()

		@@ -678,7 +701,9 @@ if(PKG_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)
		${USER-OMP_SOURCES_DIR}/fix_nh_sphere_omp.cpp
		${USER-OMP_SOURCES_DIR}/domain_omp.cpp)
		add_definitions(-DLMP_USER_OMP)
		set_property(GLOBAL PROPERTY "OMP_SOURCES" "${USER-OMP_SOURCES}")

		# detects styles which have USER-OMP version
		@@ -1011,7 +1036,9 @@ include_directories(${LAMMPS_STYLE_HEADERS_DIR})
		######################################
		set(temp "#ifndef LMP_INSTALLED_PKGS_H\n#define LMP_INSTALLED_PKGS_H\n")
		set(temp "${temp}const char * LAMMPS_NS::LAMMPS::installed_packages[] = {\n")
		foreach(PKG ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES} ${OTHER_PACKAGES})
		set(temp_PKG_LIST ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES} ${OTHER_PACKAGES})
		list(SORT temp_PKG_LIST)
		foreach(PKG ${temp_PKG_LIST})
		if(PKG_${PKG})
		set(temp "${temp} \"${PKG}\",\n")
		endif()
		@@ -1036,14 +1063,14 @@ if(BUILD_LIB)
		if(LAMMPS_DEPS)
		add_dependencies(lammps ${LAMMPS_DEPS})
		endif()
		set_target_properties(lammps PROPERTIES OUTPUT_NAME lammps${LIB_SUFFIX})
		if(BUILD_SHARED_LIBS)
		set_target_properties(lammps PROPERTIES OUTPUT_NAME lammps${LAMMPS_LIB_SUFFIX})
		set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION})
		install(TARGETS lammps LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})
		install(FILES ${LAMMPS_SOURCE_DIR}/library.h DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/lammps)
		configure_file(pkgconfig/liblammps.pc.in ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LIB_SUFFIX}.pc @ONLY)
		install(FILES ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LIB_SUFFIX}.pc DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig)
		endif()
		configure_file(pkgconfig/liblammps.pc.in ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LAMMPS_LIB_SUFFIX}.pc @ONLY)
		install(FILES ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LAMMPS_LIB_SUFFIX}.pc DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig)
		configure_file(FindLAMMPS.cmake.in ${CMAKE_CURRENT_BINARY_DIR}/FindLAMMPS${LAMMPS_LIB_SUFFIX}.cmake @ONLY)
		install(FILES ${CMAKE_CURRENT_BINARY_DIR}/FindLAMMPS${LAMMPS_LIB_SUFFIX}.cmake DESTINATION ${CMAKE_INSTALL_DATADIR}/cmake/Module)
		else()
		list(APPEND LMP_SOURCES ${LIB_SOURCES})
		endif()
		@@ -1061,6 +1088,7 @@ if(BUILD_EXE)

		set_target_properties(lmp PROPERTIES OUTPUT_NAME lmp${LAMMPS_MACHINE})
		install(TARGETS lmp DESTINATION ${CMAKE_INSTALL_BINDIR})
		install(FILES ${LAMMPS_DOC_DIR}/lammps.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1 RENAME lmp${LAMMPS_MACHINE}.1)
		if(ENABLE_TESTING)
		add_test(ShowHelp lmp${LAMMPS_MACHINE} -help)
		endif()
		@@ -1130,7 +1158,7 @@ endif()
		# Install potential files in data directory
		###############################################################################
		set(LAMMPS_POTENTIALS_DIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps/potentials)
		install(DIRECTORY ${LAMMPS_SOURCE_DIR}/../potentials DESTINATION ${CMAKE_INSTALL_DATADIR}/lammps/potentials)
		install(DIRECTORY ${LAMMPS_SOURCE_DIR}/../potentials/ DESTINATION ${LAMMPS_POTENTIALS_DIR})

		configure_file(etc/profile.d/lammps.sh.in ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.sh @ONLY)
		configure_file(etc/profile.d/lammps.csh.in ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.csh @ONLY)

cmake/FindLAMMPS.cmake.in

0 → 100644

+48 −0

Original line number	Diff line number	Diff line
		# - Find liblammps
		# Find the native liblammps headers and libraries.
		#
		# The following variables will set:
		# LAMMPS_INCLUDE_DIRS - where to find lammps/library.h, etc.
		# LAMMPS_LIBRARIES - List of libraries when using lammps.
		# LAMMPS_API_DEFINES - lammps library api defines
		# LAMMPS_VERSION - lammps library version
		# LAMMPS_FOUND - True if liblammps found.
		#
		# In addition a LAMMPS::LAMMPS imported target is getting created.
		#
		# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
		# http://lammps.sandia.gov, Sandia National Laboratories
		# Steve Plimpton, sjplimp@sandia.gov
		#
		# Copyright (2003) Sandia Corporation. Under the terms of Contract
		# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
		# certain rights in this software. This software is distributed under
		# the GNU General Public License.
		#
		# See the README file in the top-level LAMMPS directory.
		#

		find_package(PkgConfig)

		pkg_check_modules(PC_LAMMPS liblammps@LAMMPS_LIB_SUFFIX@)
		find_path(LAMMPS_INCLUDE_DIR lammps/library.h HINTS ${PC_LAMMPS_INCLUDE_DIRS} @CMAKE_INSTALL_FULL_INCLUDEDIR@)

		set(LAMMPS_VERSION @LAMMPS_VERSION@)
		set(LAMMPS_API_DEFINES @LAMMPS_API_DEFINES@)

		find_library(LAMMPS_LIBRARY NAMES lammps@LAMMPS_LIB_SUFFIX@ HINTS ${PC_LAMMPS_LIBRARY_DIRS} @CMAKE_INSTALL_FULL_LIBDIR@)

		set(LAMMPS_INCLUDE_DIRS "${LAMMPS_INCLUDE_DIR}")
		set(LAMMPS_LIBRARIES "${LAMMPS_LIBRARY}")

		include(FindPackageHandleStandardArgs)
		# handle the QUIETLY and REQUIRED arguments and set LAMMPS_FOUND to TRUE
		# if all listed variables are TRUE
		find_package_handle_standard_args(LAMMPS REQUIRED_VARS LAMMPS_LIBRARY LAMMPS_INCLUDE_DIR VERSION_VAR LAMMPS_VERSION)

		mark_as_advanced(LAMMPS_INCLUDE_DIR LAMMPS_LIBRARY)

		if(LAMMPS_FOUND AND NOT TARGET LAMMPS::LAMMPS)
		add_library(LAMMPS::LAMMPS UNKNOWN IMPORTED)
		set_target_properties(LAMMPS::LAMMPS PROPERTIES IMPORTED_LOCATION "${LAMMPS_LIBRARY}" INTERFACE_INCLUDE_DIRECTORIES "${LAMMPS_INCLUDE_DIR}" INTERFACE_COMPILE_DEFINITIONS "${LAMMPS_API_DEFINES}")
		endif()

cmake/Modules/StyleHeaderUtils.cmake

+5 −0

Original line number	Diff line number	Diff line
		@@ -48,8 +48,13 @@ function(CreateStyleHeader path filename)
		set(temp "")
		if(ARGC GREATER 2)
		list(REMOVE_AT ARGV 0 1)
		set(header_list)
		foreach(FNAME ${ARGV})
		get_filename_component(FNAME ${FNAME} NAME)
		list(APPEND header_list ${FNAME})
		endforeach()
		list(SORT header_list)
		foreach(FNAME ${header_list})
		set(temp "${temp}#include \"${FNAME}\"\n")
		endforeach()
		endif()

cmake/pkgconfig/liblammps.pc.in

+3 −3

Original line number	Diff line number	Diff line
		@@ -4,15 +4,15 @@
		# after you added @CMAKE_INSTALL_FULL_LIBDIR@/pkg-config to PKG_CONFIG_PATH,
		# e.g. export PKG_CONFIG_PATH=@CMAKE_INSTALL_FULL_LIBDIR@/pkgconfig

		prefix=@CMAKE_INSTALL_FULL_PREFIX@
		prefix=@CMAKE_INSTALL_PREFIX@
		libdir=@CMAKE_INSTALL_FULL_LIBDIR@
		includedir=@CMAKE_INSTALL_FULL_INCLUDEDIR@

		Name: liblammps@LAMMPS_MACHINE@
		Description: Large-scale Atomic/Molecular Massively Parallel Simulator Library
		URL: http://lammps.sandia.gov
		Version:
		Version: @LAMMPS_VERSION@
		Requires:
		Libs: -L${libdir} -llammps@LIB_SUFFIX@@
		Libs: -L${libdir} -llammps@LAMMPS_LIB_SUFFIX@
		Libs.private: -lm
		Cflags: -I${includedir} @LAMMPS_API_DEFINES@

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