Merge pull request #2093 from junghans/lammps_cleanup (c50bd25d) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+0 −2

Original line number	Diff line number	Diff line
		@@ -541,8 +541,6 @@ if(BUILD_SHARED_LIBS)
		configure_file(pkgconfig/liblammps.pc.in ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LAMMPS_MACHINE}.pc @ONLY)
		install(FILES ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LAMMPS_MACHINE}.pc DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig)
		install(EXPORT LAMMPS_Targets FILE LAMMPS_Targets.cmake NAMESPACE LAMMPS:: DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/LAMMPS)
		file(GLOB MODULE_FILES ${CMAKE_CURRENT_SOURCE_DIR}/Modules/Find*.cmake)
		install(FILES ${MODULE_FILES} DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/LAMMPS)
		include(CMakePackageConfigHelpers)
		configure_file(LAMMPSConfig.cmake.in ${CMAKE_CURRENT_BINARY_DIR}/LAMMPSConfig.cmake @ONLY)
		write_basic_package_version_file("LAMMPSConfigVersion.cmake" VERSION ${PROJECT_VERSION} COMPATIBILITY ExactVersion)

+0 −6

Original line number	Diff line number	Diff line
		list(APPEND CMAKE_MODULE_PATH ${CMAKE_CURRENT_LIST_DIR})
		include(CMakeFindDependencyMacro)
		if(@BUILD_MPI@)
		find_dependency(MPI REQUIRED CXX)
		endif()
		if(@PKG_KSPACE@)
		if(@FFT@ STREQUAL "FFTW3")
		find_dependency(@FFTW@ REQUIRED MODULE)
		endif()
		endif()
		include("${CMAKE_CURRENT_LIST_DIR}/LAMMPS_Targets.cmake")

+3 −3

Original line number	Diff line number	Diff line
		@@ -2,7 +2,7 @@ option(FFT_SINGLE "Use single precision FFTs instead of double precision FFTs" O
		set(FFTW "FFTW3")
		if(FFT_SINGLE)
		set(FFTW "FFTW3F")
		target_compile_definitions(lammps PUBLIC -DFFT_SINGLE)
		target_compile_definitions(lammps PRIVATE -DFFT_SINGLE)
		endif()
		find_package(${FFTW} QUIET)
		if(${FFTW}_FOUND)
		@@ -17,8 +17,8 @@ string(TOUPPER ${FFT} FFT)

		if(FFT STREQUAL "FFTW3")
		find_package(${FFTW} REQUIRED)
		target_compile_definitions(lammps PUBLIC -DFFT_FFTW3)
		target_link_libraries(lammps PUBLIC ${FFTW}::${FFTW})
		target_compile_definitions(lammps PRIVATE -DFFT_FFTW3)
		target_link_libraries(lammps PRIVATE ${FFTW}::${FFTW})
		if(FFTW3_OMP_LIBRARY OR FFTW3F_OMP_LIBRARY)
		option(FFT_FFTW_THREADS "Use threaded FFTW library" ON)
		else()

+0 −14

Original line number	Diff line number	Diff line
		@@ -19,10 +19,6 @@
		#include <fenv.h>
		#endif

		#ifdef FFT_FFTW3
		#include <fftw3.h>
		#endif

		#if defined(LAMMPS_EXCEPTIONS)
		#include "exceptions.h"
		#endif
		@@ -67,14 +63,4 @@ int main(int argc, char **argv)
		#endif
		MPI_Barrier(MPI_COMM_WORLD);
		MPI_Finalize();

		#ifdef FFT_FFTW3
		// tell fftw3 to delete its global memory pool
		// and thus avoid bogus valgrind memory leak reports
		#ifdef FFT_SINGLE
		fftwf_cleanup();
		#else
		fftw_cleanup();
		#endif
		#endif
		}