Merge remote-tracking branch 'upstream/master' (87e6fda8) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+19 −7

Original line number	Diff line number	Diff line
		@@ -33,7 +33,6 @@ include(LAMMPSUtils)

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


		include(PreventInSourceBuilds)

		if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
		@@ -51,6 +50,7 @@ check_for_autogen_files(${LAMMPS_SOURCE_DIR})
		# these need ot be done early (before further tests).
		#####################################################################
		include(CheckCCompilerFlag)
		include(CheckIncludeFileCXX)

		if (${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel")
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict")
		@@ -106,6 +106,8 @@ if(BUILD_LIB)
		endif()
		endif()

		option(BUILD_TOOLS "Build and install LAMMPS tools (msi2lmp, binary2txt, chain)" OFF)

		if(NOT BUILD_EXE AND NOT BUILD_LIB)
		message(FATAL_ERROR "You need to at least enable one of two following options: BUILD_LIB or BUILD_EXE")
		endif()
		@@ -186,10 +188,6 @@ if(LAMMPS_EXCEPTIONS)
		set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES} -DLAMMPS_EXCEPTIONS")
		endif()

		option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF)



		# "hard" dependencies between packages resulting
		# in an error instead of skipping over files
		pkg_depends(MPIIO MPI)
		@@ -198,7 +196,6 @@ pkg_depends(USER-LB MPI)
		pkg_depends(USER-PHONON KSPACE)
		pkg_depends(USER-SCAFACOS MPI)

		include(CheckIncludeFileCXX)
		find_package(OpenMP QUIET)

		# TODO: this is a temporary workaround until a better solution is found. AK 2019-05-30
		@@ -227,6 +224,9 @@ if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-PLUMED OR PKG_USER-QUI
		find_package(LAPACK)
		find_package(BLAS)
		if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)
		if(CMAKE_GENERATOR STREQUAL "Ninja")
		status(FATAL_ERROR "Cannot build internal linear algebra library with Ninja build tool due to lack for Fortran support")
		endif()
		enable_language(Fortran)
		file(GLOB LAPACK_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/linalg/[^.]*.[fF])
		add_library(linalg STATIC ${LAPACK_SOURCES})
		@@ -522,6 +522,19 @@ if(BUILD_EXE)
		set_target_properties(lmp PROPERTIES OUTPUT_NAME ${LAMMPS_BINARY})
		install(TARGETS lmp DESTINATION ${CMAKE_INSTALL_BINDIR})
		install(FILES ${LAMMPS_DOC_DIR}/lammps.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1 RENAME ${LAMMPS_BINARY}.1)
		endif()

		if(BUILD_TOOLS)
		add_executable(binary2txt ${LAMMPS_TOOLS_DIR}/binary2txt.cpp)
		install(TARGETS binary2txt DESTINATION ${CMAKE_INSTALL_BINDIR})

		# ninja-build currently does not support fortran. thus we skip building this tool
		if(NOT CMAKE_GENERATOR STREQUAL "Ninja")
		message(STATUS "Skipping building 'chain.x' with Ninja build tool due to lack of Fortran support")
		enable_language(Fortran)
		add_executable(chain.x ${LAMMPS_TOOLS_DIR}/chain.f)
		target_link_libraries(chain.x ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
		endif()

		enable_language(C)
		get_filename_component(MSI2LMP_SOURCE_DIR ${LAMMPS_TOOLS_DIR}/msi2lmp/src ABSOLUTE)
		@@ -530,7 +543,6 @@ if(BUILD_EXE)
		target_link_libraries(msi2lmp m)
		install(TARGETS msi2lmp DESTINATION ${CMAKE_INSTALL_BINDIR})
		install(FILES ${LAMMPS_DOC_DIR}/msi2lmp.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1)

		endif()

		include(Documentation)

cmake/Modules/Packages/KIM.cmake

+3 −0

Original line number	Diff line number	Diff line
		@@ -13,6 +13,9 @@ if(PKG_KIM)
		endif()
		option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT})
		if(DOWNLOAD_KIM)
		if(CMAKE_GENERATOR STREQUAL "Ninja")
		message(FATAL_ERROR "Cannot build downloaded KIM-API library with Ninja build tool")
		endif()
		message(STATUS "KIM-API download requested - we will build our own")
		enable_language(C)
		enable_language(Fortran)

cmake/Modules/Packages/LATTE.cmake

+3 −0

Original line number	Diff line number	Diff line
		@@ -11,6 +11,9 @@ if(PKG_LATTE)
		if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
		message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7")
		endif()
		if(CMAKE_GENERATOR STREQUAL "Ninja")
		message(FATAL_ERROR "Cannot build downloaded LATTE library with Ninja build tool")
		endif()
		message(STATUS "LATTE download requested - we will build our own")
		include(ExternalProject)
		ExternalProject_Add(latte_build

cmake/Modules/Packages/MSCG.cmake

+3 −0

Original line number	Diff line number	Diff line
		@@ -11,6 +11,9 @@ if(PKG_MSCG)
		if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
		message(FATAL_ERROR "For downlading MSCG you need at least cmake-3.7")
		endif()
		if(CMAKE_GENERATOR STREQUAL "Ninja")
		message(FATAL_ERROR "Cannot build downloaded MSCG library with Ninja build tool")
		endif()
		include(ExternalProject)
		if(NOT LAPACK_FOUND)
		set(EXTRA_MSCG_OPTS "-DLAPACK_LIBRARIES=${CMAKE_CURRENT_BINARY_DIR}/liblinalg.a")

cmake/Modules/Packages/USER-INTEL.cmake

+0 −1

Original line number	Diff line number	Diff line
		if(PKG_USER-INTEL)
		include(CheckIncludeFile)
		check_include_file_cxx(immintrin.h FOUND_IMMINTRIN)
		if(NOT FOUND_IMMINTRIN)
		message(FATAL_ERROR "immintrin.h header not found, Intel package won't work without it")

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