Merge pull request #1949 from akohlmey/cmake-mingw-portability (500982ac) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+32 −15

Original line number	Diff line number	Diff line
		@@ -167,11 +167,17 @@ if(PKG_USER-ADIOS)
		list(APPEND LAMMPS_LINK_LIBS adios2::adios2)
		endif()

		# do MPI detection after language activation, if MPI for these language is required
		# do MPI detection after language activation,
		# in case MPI for these languages is required
		set(MPI_CXX_SKIP_MPICXX TRUE)
		find_package(MPI QUIET)
		option(BUILD_MPI "Build MPI version" ${MPI_FOUND})

		if(BUILD_MPI)
		# We use a non-standard procedure to compile with MPI on windows
		if (CMAKE_SYSTEM_NAME STREQUAL Windows)
		include(MPI4WIN)
		else()
		find_package(MPI REQUIRED)
		include_directories(${MPI_CXX_INCLUDE_PATH})
		add_definitions(-DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1)
		@@ -180,6 +186,7 @@ if(BUILD_MPI)
		if(LAMMPS_LONGLONG_TO_LONG)
		add_definitions(-DLAMMPS_LONGLONG_TO_LONG)
		endif()
		endif()
		else()
		enable_language(C)
		file(GLOB MPI_SOURCES ${LAMMPS_SOURCE_DIR}/STUBS/mpi.c)
		@@ -255,8 +262,8 @@ if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
		enable_language(Fortran)
		file(GLOB LAPACK_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/linalg/[^.]*.[fF])
		add_library(linalg STATIC ${LAPACK_SOURCES})
		set(BLAS_LIBRARIES linalg)
		set(LAPACK_LIBRARIES linalg)
		set(BLAS_LIBRARIES "${CMAKE_BINARY_DIR}/liblinalg.a")
		set(LAPACK_LIBRARIES "${CMAKE_BINARY_DIR}/liblinalg.a")
		else()
		list(APPEND LAPACK_LIBRARIES ${BLAS_LIBRARIES})
		endif()
		@@ -335,11 +342,6 @@ include(Packages/MESSAGE)
		include(Packages/MSCG)
		include(Packages/COMPRESS)

		# the windows version of LAMMPS requires a couple extra libraries
		if(${CMAKE_SYSTEM_NAME} STREQUAL "Windows")
		list(APPEND LAMMPS_LINK_LIBS -lwsock32 -lpsapi)
		endif()

		set(CMAKE_TUNE_FLAGS "${CMAKE_TUNE_DEFAULT}" CACHE STRING "Compiler specific optimization or instrumentation")
		set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${CMAKE_TUNE_FLAGS}")
		if(CMAKE_Fortran_FLAGS)
		@@ -428,6 +430,9 @@ foreach(SIMPLE_LIB POEMS USER-ATC USER-AWPMD USER-H5MD)
		${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}/[^.]*.c
		${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}/[^.]*.cpp)
		add_library(${PKG_LIB} STATIC ${${PKG_LIB}_SOURCES})
		if(LAMMPS_USE_MPI4WIN)
		add_dependencies(${PKG_LIB} mpi4win_build)
		endif()
		list(APPEND LAMMPS_LINK_LIBS ${PKG_LIB})
		if(PKG_LIB STREQUAL awpmd)
		target_include_directories(awpmd PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/awpmd/systems/interact ${LAMMPS_LIB_SOURCE_DIR}/awpmd/ivutils/include)
		@@ -465,6 +470,18 @@ include(Packages/OPT)
		include(Packages/USER-INTEL)
		include(Packages/GPU)

		######################################################################
		# the windows version of LAMMPS requires a couple extra libraries
		# and the MPI library - if use - has to be linked right before those
		# and after everything else that is compiled locally
		######################################################################
		if(${CMAKE_SYSTEM_NAME} STREQUAL "Windows")
		if(LAMMPS_USE_MPI4WIN)
		list(APPEND LAMMPS_LINK_LIBS ${MPI4WIN_LIBRARIES})
		endif()
		list(APPEND LAMMPS_LINK_LIBS -lwsock32 -lpsapi)
		endif()

		######################################################
		# Generate style headers based on global list of
		# styles registered during package selection

cmake/Modules/MPI4WIN.cmake

0 → 100644

+23 −0

Original line number	Diff line number	Diff line
		# Download and configure custom MPICH files for Windows
		message(STATUS "Downloading and configuring MPICH-1.4.1 for Windows")
		include(ExternalProject)
		if (CMAKE_SYSTEM_PROCESSOR STREQUAL "x86_64")
		ExternalProject_Add(mpi4win_build
		URL https://download.lammps.org/thirdparty/mpich2-win64-devel.tar.gz
		URL_MD5 4939fdb59d13182fd5dd65211e469f14
		CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND ""
		BUILD_BYPRODUCTS <SOURCE_DIR>/lib/libmpi.a)
		else()
		ExternalProject_Add(mpi4win_build
		URL https://download.lammps.org/thirdparty/mpich2-win32-devel.tar.gz
		URL_MD5 a61d153500dce44e21b755ee7257e031
		CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND ""
		BUILD_BYPRODUCTS <SOURCE_DIR>/lib/libmpi.a)
		endif()

		ExternalProject_get_property(mpi4win_build SOURCE_DIR)
		add_definitions(-DMPICH_SKIP_MPICXX)
		include_directories("${SOURCE_DIR}/include")
		set(MPI4WIN_LIBRARIES "${SOURCE_DIR}/lib/libmpi.a")
		list(APPEND LAMMPS_DEPS mpi4win_build)
		set(LAMMPS_USE_MPI4WIN ON)

cmake/Modules/Packages/GPU.cmake

+6 −0

Original line number	Diff line number	Diff line
		@@ -108,6 +108,9 @@ if(PKG_GPU)
		endif()

		list(APPEND LAMMPS_LINK_LIBS gpu)
		if(LAMMPS_USE_MPI4WIN)
		add_dependencies(gpu mpi4win_build)
		endif()

		add_executable(nvc_get_devices ${LAMMPS_LIB_SOURCE_DIR}/gpu/geryon/ucl_get_devices.cpp)
		target_compile_definitions(nvc_get_devices PRIVATE -DUCL_CUDADR)
		@@ -169,6 +172,9 @@ if(PKG_GPU)
		target_compile_definitions(gpu PRIVATE -DUSE_OPENCL)

		list(APPEND LAMMPS_LINK_LIBS gpu)
		if(LAMMPS_USE_MPI4WIN)
		add_dependencies(gpu mpi4win_build)
		endif()

		add_executable(ocl_get_devices ${LAMMPS_LIB_SOURCE_DIR}/gpu/geryon/ucl_get_devices.cpp)
		target_compile_definitions(ocl_get_devices PRIVATE -DUCL_OPENCL)

cmake/Modules/Packages/KIM.cmake

+6 −2

Original line number	Diff line number	Diff line
		@@ -35,6 +35,9 @@ if(PKG_KIM)
		option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT})
		if(DOWNLOAD_KIM)
		message(STATUS "KIM-API download requested - we will build our own")
		# Workaround for cross compilation with MinGW where ${CMAKE_INSTALL_LIBDIR}
		# is a full path, so we need to remove the prefix
		string(REPLACE ${CMAKE_INSTALL_PREFIX} "" _KIM_LIBDIR ${CMAKE_INSTALL_LIBDIR})
		include(ExternalProject)
		enable_language(C)
		enable_language(Fortran)
		@@ -49,11 +52,12 @@ if(PKG_KIM)
		-DCMAKE_INSTALL_PREFIX=<INSTALL_DIR>
		-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
		-DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM}
		BUILD_BYPRODUCTS <INSTALL_DIR>/${CMAKE_INSTALL_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX}
		-DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE}
		BUILD_BYPRODUCTS <INSTALL_DIR>/${_KIM_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX}
		)
		ExternalProject_get_property(kim_build INSTALL_DIR)
		set(KIM-API_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api)
		set(KIM-API_LDFLAGS ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX})
		set(KIM-API_LDFLAGS ${INSTALL_DIR}/${_KIM_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX})
		list(APPEND LAMMPS_DEPS kim_build)
		else()
		find_package(KIM-API ${KIM-API_MIN_VERSION} REQUIRED)

cmake/Modules/Packages/LATTE.cmake

+10 −4

Original line number	Diff line number	Diff line
		@@ -9,6 +9,9 @@ if(PKG_LATTE)
		option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" ${DOWNLOAD_LATTE_DEFAULT})
		if(DOWNLOAD_LATTE)
		message(STATUS "LATTE download requested - we will build our own")
		# Workaround for cross compilation with MinGW where ${CMAKE_INSTALL_LIBDIR}
		# is a full path, so we need to remove the prefix
		string(REPLACE ${CMAKE_INSTALL_PREFIX} "" _LATTE_LIBDIR ${CMAKE_INSTALL_LIBDIR})
		include(ExternalProject)
		ExternalProject_Add(latte_build
		URL https://github.com/lanl/LATTE/archive/v1.2.1.tar.gz
		@@ -18,17 +21,20 @@ if(PKG_LATTE)
		-DBLAS_LIBRARIES=${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>/${CMAKE_INSTALL_LIBDIR}/liblatte.a
		-DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE}
		BUILD_BYPRODUCTS <INSTALL_DIR>/${_LATTE_LIBDIR}/liblatte.a
		)
		ExternalProject_get_property(latte_build INSTALL_DIR)
		set(LATTE_LIBRARIES ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/liblatte.a)
		list(APPEND LAMMPS_DEPS latte_build)
		ExternalProject_get_property(latte_build INSTALL_DIR)
		set(LATTE_LIBRARIES ${INSTALL_DIR}/${_LATTE_LIBDIR}/liblatte.a)
		else()
		find_package(LATTE)
		if(NOT LATTE_FOUND)
		message(FATAL_ERROR "LATTE library not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it")
		endif()
		endif()
		if(NOT LAPACK_FOUND)
		add_dependencies(latte_build linalg)
		endif()
		list(APPEND LAMMPS_LINK_LIBS ${LATTE_LIBRARIES} ${LAPACK_LIBRARIES})
		endif()

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