Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom (8ed5829d) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+16 −5

Original line number	Diff line number	Diff line
		@@ -425,7 +425,12 @@ if(PKG_USER-ATC)
		if(LAMMPS_SIZES STREQUAL BIGBIG)
		message(FATAL_ERROR "The USER-ATC Package is not compatible with -DLAMMPS_BIGBIG")
		endif()
		target_link_libraries(atc PRIVATE ${LAPACK_LIBRARIES} MPI::MPI_CXX)
		target_link_libraries(atc PRIVATE ${LAPACK_LIBRARIES})
		if(BUILD_MPI)
		target_link_libraries(atc PRIVATE MPI::MPI_CXX)
		else()
		target_link_libraries(atc PRIVATE mpi_stubs)
		endif()
		target_include_directories(atc PRIVATE ${LAMMPS_SOURCE_DIR})
		target_compile_definitions(atc PRIVATE -DLAMMPS_${LAMMPS_SIZES})
		endif()
		@@ -549,10 +554,16 @@ if(BUILD_TOOLS)

		include(CheckGeneratorSupport)
		if(CMAKE_GENERATOR_SUPPORT_FORTRAN)
		include(CheckLanguage)
		check_language(Fortran)
		if(CMAKE_Fortran_COMPILER)
		enable_language(Fortran)
		add_executable(chain.x ${LAMMPS_TOOLS_DIR}/chain.f)
		target_link_libraries(chain.x PRIVATE ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
		install(TARGETS chain.x DESTINATION ${CMAKE_INSTALL_BINDIR})
		else()
		message(WARNING "No suitable Fortran compiler found, skipping building 'chain.x'")
		endif()
		else()
		message(WARNING "CMake build doesn't support fortran, skipping building 'chain.x'")
		endif()

+2 −1

Original line number	Diff line number	Diff line
		@@ -11,7 +11,8 @@
		# TBB Malloc

		find_path(TBB_MALLOC_INCLUDE_DIR NAMES tbb/tbb.h PATHS $ENV{TBBROOT}/include)
		find_library(TBB_MALLOC_LIBRARY NAMES tbbmalloc PATHS $ENV{TBBROOT}/lib/intel64/gcc4.7
		find_library(TBB_MALLOC_LIBRARY NAMES tbbmalloc PATHS $ENV{TBBROOT}/lib/intel64/gcc4.8
		$ENV{TBBROOT}/lib/intel64/gcc4.7
		$ENV{TBBROOT}/lib/intel64/gcc4.4
		$ENV{TBBROOT}/lib/intel64/gcc4.1)

+3 −0

Original line number	Diff line number	Diff line
		enable_language(C)

		if(CMAKE_VERSION VERSION_GREATER_EQUAL 3.12)
		cmake_policy(SET CMP0074 NEW)
		endif()
		find_package(HDF5 REQUIRED)
		target_link_libraries(h5md PRIVATE ${HDF5_LIBRARIES})
		target_include_directories(h5md PUBLIC ${HDF5_INCLUDE_DIRS})

+13 −6

Original line number	Diff line number	Diff line
		# USER-NETCDF can use NetCDF, Parallel NetCDF (PNetCDF), or both. At least one necessary.
		# NetCDF library enables dump style "netcdf", while PNetCDF enables dump style "netcdf/mpiio"
		if(CMAKE_VERSION VERSION_GREATER_EQUAL 3.12)
		cmake_policy(SET CMP0074 NEW)
		endif()
		if(NOT BUILD_MPI)
		find_package(NetCDF REQUIRED)
		else()
		find_package(NetCDF)
		if(NETCDF_FOUND)
		find_package(PNetCDF)
		else(NETCDF_FOUND)
		else()
		find_package(PNetCDF REQUIRED)
		endif(NETCDF_FOUND)
		endif()
		endif()

		if(NETCDF_FOUND)
		target_link_libraries(lammps PRIVATE NetCDF::NetCDF)

+5 −1

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		@@ -24,7 +24,11 @@ if(DOWNLOAD_VORO)
		ExternalProject_Add(voro_build
		URL https://download.lammps.org/thirdparty/voro++-0.4.6.tar.gz
		URL_MD5 2338b824c3b7b25590e18e8df5d68af9
		CONFIGURE_COMMAND "" BUILD_COMMAND make ${VORO_BUILD_OPTIONS} BUILD_IN_SOURCE 1 INSTALL_COMMAND ""
		PATCH_COMMAND patch -b -p0 < ${LAMMPS_LIB_SOURCE_DIR}/voronoi/voro-make.patch
		CONFIGURE_COMMAND ""
		BUILD_COMMAND make ${VORO_BUILD_OPTIONS}
		BUILD_IN_SOURCE 1
		INSTALL_COMMAND ""
		BUILD_BYPRODUCTS <SOURCE_DIR>/src/libvoro++.a
		)
		ExternalProject_get_property(voro_build SOURCE_DIR)