Merge branch 'master' into restart-consistency (3e36acc5) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+9 −7

Original line number	Diff line number	Diff line
		@@ -255,8 +255,9 @@ if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
		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")
		include(CheckGeneratorSupport)
		if(NOT CMAKE_GENERATOR_SUPPORT_FORTRAN)
		status(FATAL_ERROR "Cannot build internal linear algebra library as CMake build tool lacks Fortran support")
		endif()
		enable_language(Fortran)
		file(GLOB LAPACK_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/linalg/[^.]*.[fF])
		@@ -587,14 +588,14 @@ 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(CMAKE_GENERATOR STREQUAL "Ninja")
		message(STATUS "Skipping building 'chain.x' with Ninja build tool due to lack of Fortran support")
		else()
		include(CheckGeneratorSupport)
		if(CMAKE_GENERATOR_SUPPORT_FORTRAN)
		enable_language(Fortran)
		add_executable(chain.x ${LAMMPS_TOOLS_DIR}/chain.f)
		target_link_libraries(chain.x ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
		install(TARGETS chain.x DESTINATION ${CMAKE_INSTALL_BINDIR})
		else()
		message(WARNING "CMake build doesn't support fortran, skipping building 'chain.x'")
		endif()

		enable_language(C)
		@@ -686,6 +687,7 @@ feature_summary(DESCRIPTION "The following tools and libraries have been found a
		message(STATUS "<<< Build configuration >>>
		Build type ${CMAKE_BUILD_TYPE}
		Install path ${CMAKE_INSTALL_PREFIX}
		Generator ${CMAKE_GENERATOR} using ${CMAKE_MAKE_PROGRAM}
		Compilers and Flags:
		C++ Compiler ${CMAKE_CXX_COMPILER}
		Type ${CMAKE_CXX_COMPILER_ID}
		@@ -718,7 +720,7 @@ else()
		endif()
		message(STATUS "Link libraries: ${LAMMPS_LINK_LIBS}")
		if(BUILD_MPI)
		message(STATUS "Using MPI with headers in ${MPI_CXX_INCLUDE_PATH} and ${MPI_CXX_LIBRARIES}")
		message(STATUS "Using MPI with headers in ${MPI_CXX_INCLUDE_PATH} and these libraries: ${MPI_CXX_LIBRARIES};${MPI_Fortran_LIBRARIES}")
		endif()
		if(PKG_GPU)
		message(STATUS "GPU API: ${GPU_API}")

cmake/Modules/CheckGeneratorSupport.cmake

0 → 100644

+21 −0

Original line number	Diff line number	Diff line
		# ninja-build<1.10 does not support fortran.
		if(CMAKE_GENERATOR STREQUAL "Ninja")
		set(CMAKE_GENERATOR_SUPPORT_FORTRAN FALSE)
		execute_process(COMMAND "${CMAKE_MAKE_PROGRAM}" --version
		OUTPUT_VARIABLE NINJA_VERSION
		OUTPUT_STRIP_TRAILING_WHITESPACE
		RESULT_VARIABLE _Ninja_version_result
		)
		if(_Ninja_version_result)
		message(WARNING "Unable to determine ninja version: ${_Ninja_version_result}, assuming fortran isn't supported")
		elseif(NINJA_VERSION VERSION_LESS "1.10")
		message(WARNING "Ninja build tool too old, to compile Fortran code, please install ninja-1.10 or newer")
		else()
		set(CMAKE_GENERATOR_SUPPORT_FORTRAN TRUE)
		endif()
		else()
		set(CMAKE_GENERATOR_SUPPORT_FORTRAN TRUE)
		if(NOT CMAKE_GENERATOR STREQUAL "Unix Makefiles")
		message(WARNING "Assuming fortran is supported for ${CMAKE_GENERATOR}")
		endif()
		endif()

cmake/Modules/Packages/KIM.cmake

+5 −9

Original line number	Diff line number	Diff line
		@@ -34,26 +34,22 @@ if(PKG_KIM)
		endif()
		option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT})
		if(DOWNLOAD_KIM)
		if(CMAKE_GENERATOR STREQUAL "Ninja")
		message(FATAL_ERROR "Cannot build downloaded KIM-API library with Ninja build tool")
		endif()
		message(STATUS "KIM-API download requested - we will build our own")
		include(CheckLanguage)
		include(ExternalProject)
		enable_language(C)
		check_language(Fortran)
		if(NOT CMAKE_Fortran_COMPILER)
		message(FATAL_ERROR "Compiling the KIM-API library requires a Fortran compiler")
		endif()
		enable_language(Fortran)
		ExternalProject_Add(kim_build
		URL https://s3.openkim.org/kim-api/kim-api-2.1.3.txz
		URL_MD5 6ee829a1bbba5f8b9874c88c4c4ebff8
		BINARY_DIR build
		CMAKE_ARGS -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
		CMAKE_ARGS ${CMAKE_REQUEST_PIC}
		-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
		-DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
		-DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER}
		-DCMAKE_INSTALL_PREFIX=<INSTALL_DIR>
		-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
		-DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM}
		BUILD_BYPRODUCTS <INSTALL_DIR>/${CMAKE_INSTALL_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX}
		)
		ExternalProject_get_property(kim_build INSTALL_DIR)
		set(KIM-API_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api)

cmake/Modules/Packages/LATTE.cmake

+2 −3

Original line number	Diff line number	Diff line
		@@ -8,9 +8,6 @@ if(PKG_LATTE)
		endif()
		option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" ${DOWNLOAD_LATTE_DEFAULT})
		if(DOWNLOAD_LATTE)
		if(CMAKE_GENERATOR STREQUAL "Ninja")
		message(FATAL_ERROR "Cannot build downloaded LATTE library with Ninja build tool")
		endif()
		message(STATUS "LATTE download requested - we will build our own")
		include(ExternalProject)
		ExternalProject_Add(latte_build
		@@ -21,6 +18,8 @@ if(PKG_LATTE)
		-DBLAS_LIBRARIES=${BLAS_LIBRARIES} -DLAPACK_LIBRARIES=${LAPACK_LIBRARIES}
		-DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} -DCMAKE_Fortran_FLAGS=${CMAKE_Fortran_FLAGS}
		-DCMAKE_Fortran_FLAGS_${BTYPE}=${CMAKE_Fortran_FLAGS_${BTYPE}} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
		-DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM}
		BUILD_BYPRODUCTS <INSTALL_DIR>/${CMAKE_INSTALL_LIBDIR}/liblatte.a
		)
		ExternalProject_get_property(latte_build INSTALL_DIR)
		set(LATTE_LIBRARIES ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/liblatte.a)

cmake/Modules/Packages/MSCG.cmake

+10 −5

Original line number	Diff line number	Diff line
		@@ -8,9 +8,6 @@ if(PKG_MSCG)
		endif()
		option(DOWNLOAD_MSCG "Download MSCG library instead of using an already installed one)" ${DOWNLOAD_MSCG_DEFAULT})
		if(DOWNLOAD_MSCG)
		if(CMAKE_GENERATOR STREQUAL "Ninja")
		message(FATAL_ERROR "Cannot build downloaded MSCG library with Ninja build tool")
		endif()
		include(ExternalProject)
		if(NOT LAPACK_FOUND)
		set(EXTRA_MSCG_OPTS "-DLAPACK_LIBRARIES=${CMAKE_CURRENT_BINARY_DIR}/liblinalg.a")
		@@ -19,8 +16,16 @@ if(PKG_MSCG)
		URL https://github.com/uchicago-voth/MSCG-release/archive/1.7.3.1.tar.gz
		URL_MD5 8c45e269ee13f60b303edd7823866a91
		SOURCE_SUBDIR src/CMake
		CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC} ${EXTRA_MSCG_OPTS}
		BUILD_COMMAND make mscg INSTALL_COMMAND ""
		CMAKE_ARGS ${CMAKE_REQUEST_PIC} ${EXTRA_MSCG_OPTS}
		-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
		-DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
		-DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER}
		-DCMAKE_INSTALL_PREFIX=<INSTALL_DIR>
		-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
		-DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM}
		BUILD_COMMAND ${CMAKE_COMMAND} --build . --target mscg
		INSTALL_COMMAND ""
		BUILD_BYPRODUCTS <BINARY_DIR>/libmscg.a
		)
		ExternalProject_get_property(mscg_build BINARY_DIR)
		set(MSCG_LIBRARIES ${BINARY_DIR}/libmscg.a)

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