forked from lijiext/lammps
Merge branch 'cmake_pkg_libs' into cmake_improvements
This commit is contained in:
Richard Berger
commit
ff18cff46b
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@ -41,10 +41,13 @@ include(CheckCCompilerFlag)
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# User input options #
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########################################################################
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option(BUILD_SHARED_LIBS "Build shared libs" OFF)
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option(INSTALL_LIB "Install lammps library and header" ON)
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if(BUILD_SHARED_LIBS) # for all pkg libs, mpi_stubs and linalg
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set(CMAKE_POSITION_INDEPENDENT_CODE ON)
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endif()
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include(GNUInstallDirs)
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set(LAMMPS_LINK_LIBS)
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set(LAMMPS_API_DEFINES)
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option(ENABLE_MPI "Build MPI version" OFF)
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if(ENABLE_MPI)
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find_package(MPI REQUIRED)
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@ -56,13 +59,15 @@ if(ENABLE_MPI)
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endif()
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else()
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file(GLOB MPI_SOURCES ${LAMMPS_SOURCE_DIR}/STUBS/mpi.c)
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list(APPEND LIB_SOURCES ${MPI_SOURCES})
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add_library(mpi_stubs STATIC ${MPI_SOURCES})
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include_directories(${LAMMPS_SOURCE_DIR}/STUBS)
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list(APPEND LAMMPS_LINK_LIBS mpi_stubs)
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endif()
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set(LAMMPS_SIZE_LIMIT "LAMMPS_SMALLBIG" CACHE STRING "Lammps size limit")
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set_property(CACHE LAMMPS_SIZE_LIMIT PROPERTY STRINGS LAMMPS_SMALLBIG LAMMPS_BIGBIG LAMMPS_SMALLSMALL)
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add_definitions(-D${LAMMPS_SIZE_LIMIT})
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set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES} -D${LAMMPS_SIZE_LIMIT}")
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set(LAMMPS_MEMALIGN "64" CACHE STRING "enables the use of the posix_memalign() call instead of malloc() when large chunks or memory are allocated by LAMMPS")
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add_definitions(-DLAMMPS_MEMALIGN=${LAMMPS_MEMALIGN})
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@ -70,6 +75,7 @@ add_definitions(-DLAMMPS_MEMALIGN=${LAMMPS_MEMALIGN})
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option(LAMMPS_EXCEPTIONS "enable the use of C++ exceptions for error messages (useful for library interface)" OFF)
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if(LAMMPS_EXCEPTIONS)
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add_definitions(-DLAMMPS_EXCEPTIONS)
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set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES -DLAMMPS_EXCEPTIONS")
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endif()
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set(LAMMPS_MACHINE "" CACHE STRING "Suffix to append to lmp binary and liblammps (WON'T enable any features automatically")
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@ -90,7 +96,7 @@ set(OTHER_PACKAGES KIM PYTHON MSCG MPIIO VORONOI POEMS
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USER-ATC USER-AWPMD USER-CGDNA
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USER-CGSDK USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF
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USER-FEP USER-H5MD USER-LB USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC
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USER-MOLFILE USER-NETCDF USER-PHONON USER-QTB USER-REAXC USER-SMD
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USER-MOLFILE USER-NETCDF USER-PHONON USER-QTB USER-REAXC USER-SMD
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USER-SMTBQ USER-SPH USER-TALLY USER-VTK USER-QUIP USER-QMMM)
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set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
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foreach(PKG ${DEFAULT_PACKAGES})
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@ -123,6 +129,8 @@ endif()
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######################################################
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if(ENABLE_REAX OR ENABLE_MEAM OR ENABLE_USER-QUIP OR ENABLE_USER-QMMM)
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enable_language(Fortran)
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include(CheckFortranCompilerFlag)
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check_Fortran_compiler_flag("-fno-second-underscore" FC_HAS_NO_SECOND_UNDERSCORE)
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endif()
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if(ENABLE_KOKKOS OR ENABLE_MSCG)
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@ -157,18 +165,22 @@ endif()
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if(ENABLE_MISC)
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option(LAMMPS_XDR "include XDR compatibility files for doing particle dumps in XTC format" OFF)
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if(LAMMPS_XDR)
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add_definitions(-DLAMMPS_XDR)
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add_definitions(-DLAMMPS_XDR) # for liblammps
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endif()
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endif()
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if(ENABLE_MSCG OR ENABLE_USER-ATC OR ENABLE_USER-AWPMD OR ENABLE_USER-QUIP)
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find_package(LAPACK)
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if(LAPACK_FOUND)
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list(APPEND LAMMPS_LINK_LIBS ${LAPACK_LIBRARIES})
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else()
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if(NOT LAPACK_FOUND)
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enable_language(Fortran)
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file(GLOB LAPACK_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/linalg/*.f)
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list(APPEND LIB_SOURCES ${LAPACK_SOURCES})
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add_library(linalg STATIC ${LAPACK_SOURCES})
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include(CheckFortranCompilerFlag)
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check_Fortran_compiler_flag("-fno-second-underscore" FC_HAS_NO_SECOND_UNDERSCORE)
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if(FC_HAS_NO_SECOND_UNDERSCORE)
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target_compile_options(linalg PRIVATE -fno-second-underscore)
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endif()
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set(LAPACK_LIBRARIES linalg)
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endif()
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endif()
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@ -223,7 +235,10 @@ if(ENABLE_VORONOI)
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endif()
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if(ENABLE_USER-MOLFILE)
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list(APPEND LAMMPS_LINK_LIBS ${CMAKE_DL_LIBS})
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add_library(molfile INTERFACE)
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target_include_directories(molfile INTERFACE ${LAMMPS_LIB_SOURCE_DIR}/molfile)
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target_link_libraries(molfile INTERFACE ${CMAKE_DL_LIBS})
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list(APPEND LAMMPS_LINK_LIBS molfile)
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endif()
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if(ENABLE_USER-NETCDF)
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@ -240,7 +255,7 @@ endif()
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if(ENABLE_USER-QUIP)
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find_package(QUIP REQUIRED)
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list(APPEND LAMMPS_LINK_LIBS ${QUIP_LIBRARIES} ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
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list(APPEND LAMMPS_LINK_LIBS ${QUIP_LIBRARIES} ${LAPACK_LIBRARIES} ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
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endif()
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if(ENABLE_USER-QMMM)
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@ -249,17 +264,6 @@ if(ENABLE_USER-QMMM)
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list(APPEND LAMMPS_LINK_LIBS ${QE_LIBRARIES} ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
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endif()
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if(ENABLE_USER-AWPMD)
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include_directories(${LAMMPS_LIB_SOURCE_DIR}/awpmd/systems/interact
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${LAMMPS_LIB_SOURCE_DIR}/awpmd/ivutils/include)
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endif()
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if(ENABLE_USER-H5MD)
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find_package(HDF5 REQUIRED)
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list(APPEND LAMMPS_LINK_LIBS ${HDF5_LIBRARIES})
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include_directories(${HDF5_INCLUDE_DIRS} ${LAMMPS_LIB_SOURCE_DIR}/h5md/include)
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endif()
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if(ENABLE_USER-VTK)
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find_package(VTK REQUIRED NO_MODULE)
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include(${VTK_USE_FILE})
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@ -290,13 +294,11 @@ if(ENABLE_MSCG)
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WORKING_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/mscg)
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endif()
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file(GLOB MSCG_SOURCES ${LAMMPS_LIB_MSCG_BIN_DIR}/*.cpp)
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list(APPEND LIB_SOURCES ${MSCG_SOURCES})
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foreach(MSCG_SOURCE ${MSCG_SOURCES})
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set_property(SOURCE ${MSCG_SOURCE} APPEND PROPERTY COMPILE_DEFINITIONS
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DIMENSION=3 _exclude_gromacs=1)
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endforeach()
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include_directories(${LAMMPS_LIB_MSCG_BIN_DIR} ${GSL_INCLUDE_DIRS})
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list(APPEND LAMMPS_LINK_LIBS ${GSL_LIBRARIES})
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add_library(mscg STATIC ${MSCG_SOURCES})
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list(APPEND LAMMPS_LINK_LIBS mscg)
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target_compile_options(mscg PRIVATE -DDIMENSION=3 -D_exclude_gromacs=1)
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target_include_directories(mscg PUBLIC ${LAMMPS_LIB_MSCG_BIN_DIR})
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target_link_libraries(mscg ${GSL_LIBRARIES} ${LAPACK_LIBRARIES})
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endif()
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########################################################################
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@ -322,7 +324,7 @@ endforeach(FUNC)
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list(APPEND LAMMPS_LINK_LIBS ${MATH_LIBRARIES})
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######################################
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# Generate Basic Style files
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# Generate Basic Style files
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######################################
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include(StyleHeaderUtils)
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RegisterStyles(${LAMMPS_SOURCE_DIR})
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@ -361,17 +363,53 @@ endforeach()
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# add lib sources of (simple) enabled packages
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############################################
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foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD USER-COLVARS USER-H5MD
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USER-MOLFILE USER-QMMM)
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USER-QMMM)
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if(ENABLE_${SIMPLE_LIB})
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string(REGEX REPLACE "^USER-" "" SIMPLE_LIB "${SIMPLE_LIB}")
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string(TOLOWER "${SIMPLE_LIB}" INC_DIR)
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file(GLOB_RECURSE ${SIMPLE_LIB}_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/${INC_DIR}/*.F
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${LAMMPS_LIB_SOURCE_DIR}/${INC_DIR}/*.c ${LAMMPS_LIB_SOURCE_DIR}/${INC_DIR}/*.cpp)
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list(APPEND LIB_SOURCES ${${SIMPLE_LIB}_SOURCES})
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include_directories(${LAMMPS_LIB_SOURCE_DIR}/${INC_DIR})
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string(REGEX REPLACE "^USER-" "" PKG_LIB "${SIMPLE_LIB}")
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string(TOLOWER "${PKG_LIB}" PKG_LIB)
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file(GLOB_RECURSE ${PKG_LIB}_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}/*.F
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${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}/*.c ${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}/*.cpp)
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add_library(${PKG_LIB} STATIC ${${PKG_LIB}_SOURCES})
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list(APPEND LAMMPS_LINK_LIBS ${PKG_LIB})
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if(PKG_LIB STREQUAL awpmd)
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target_include_directories(awpmd PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/awpmd/systems/interact ${LAMMPS_LIB_SOURCE_DIR}/awpmd/ivutils/include)
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elseif(PKG_LIB STREQUAL h5md)
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target_include_directories(h5md PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/h5md/include)
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else()
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target_include_directories(${PKG_LIB} PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB})
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endif()
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endif()
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endforeach()
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if(ENABLE_USER-AWPMD)
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target_link_libraries(awpmd ${LAPACK_LIBRARIES})
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endif()
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if(ENABLE_USER-ATC)
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target_link_libraries(atc ${LAPACK_LIBRARIES})
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endif()
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if(ENABLE_USER-H5MD)
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find_package(HDF5 REQUIRED)
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target_link_libraries(h5md ${HDF5_LIBRARIES})
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target_include_directories(h5md PRIVATE ${HDF5_INCLUDE_DIRS})
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endif()
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if(ENABLE_MEAM AND FC_HAS_NO_SECOND_UNDERSCORE)
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foreach(FSRC ${meam_SOURCES})
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string(REGEX REPLACE "^.*\\." "" FEXT "${FSRC}")
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list(FIND CMAKE_Fortran_SOURCE_FILE_EXTENSIONS "${FEXT}" FINDEX)
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if(FINDEX GREATER -1)
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set_property(SOURCE ${FSRC} APPEND PROPERTY COMPILE_FLAGS "-fno-second-underscore")
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endif()
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endforeach()
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endif()
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if(ENABLE_REAX AND FC_HAS_NO_SECOND_UNDERSCORE)
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target_compile_options(reax PRIVATE -fno-second-underscore)
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endif()
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######################################################################
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# packages which selectively include variants based on enabled styles
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# e.g. accelerator packages
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@ -468,62 +506,132 @@ if(ENABLE_USER-INTEL)
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endif()
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if(ENABLE_GPU)
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find_package(CUDA REQUIRED)
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find_program(BIN2C bin2c)
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if(NOT BIN2C)
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message(FATAL_ERROR "Couldn't find bin2c, use -DBIN2C helping cmake to find it.")
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endif()
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include_directories(${CUDA_INCLUDE_DIRS})
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list(APPEND LAMMPS_LINK_LIBS ${CUDA_LIBRARIES} ${CUDA_CUDA_LIBRARY})
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set(GPU_PREC "SINGLE_DOUBLE" CACHE STRING "Lammps gpu precision size")
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set_property(CACHE GPU_PREC PROPERTY STRINGS SINGLE_DOUBLE SINGLE_SINGLE DOUBLE_DOUBLE)
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add_definitions(-D_${GPU_PREC})
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add_definitions(-DNV_KERNEL -DUCL_CUDADR)
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option(CUDPP_OPT "Enable CUDPP_OPT" ON)
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set(GPU_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/GPU)
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set(GPU_SOURCES ${GPU_SOURCES_DIR}/gpu_extra.h)
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set(GPU_SOURCES ${GPU_SOURCES_DIR}/gpu_extra.h
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${GPU_SOURCES_DIR}/fix_gpu.h
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${GPU_SOURCES_DIR}/fix_gpu.cpp)
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set(GPU_API "OpenCL" CACHE STRING "API used by GPU package")
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set_property(CACHE GPU_API PROPERTY STRINGS OpenCL CUDA)
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set(GPU_PREC "SINGLE_DOUBLE" CACHE STRING "LAMMPS GPU precision size")
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set_property(CACHE GPU_PREC PROPERTY STRINGS SINGLE_DOUBLE SINGLE_SINGLE DOUBLE_DOUBLE)
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file(GLOB GPU_LIB_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/*.cpp)
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file(MAKE_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/gpu)
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if(GPU_API STREQUAL "CUDA")
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find_package(CUDA REQUIRED)
|
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find_program(BIN2C bin2c)
|
||||
if(NOT BIN2C)
|
||||
message(FATAL_ERROR "Couldn't find bin2c, use -DBIN2C helping cmake to find it.")
|
||||
endif()
|
||||
option(CUDPP_OPT "Enable CUDPP_OPT" ON)
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|
||||
set(GPU_ARCH "sm_30" CACHE STRING "LAMMPS GPU CUDA SM architecture")
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||||
set_property(CACHE GPU_ARCH PROPERTY STRINGS sm_10 sm_20 sm_30 sm_60)
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file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/*.cu ${CMAKE_SOURCE_DIR}/gpu/*.cu)
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||||
list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_pppm.cu)
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||||
|
||||
cuda_include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu ${LAMMPS_LIB_BINARY_DIR}/gpu)
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||||
|
||||
if(CUDPP_OPT)
|
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cuda_include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini)
|
||||
file(GLOB GPU_LIB_CUDPP_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/*.cpp)
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file(GLOB GPU_LIB_CUDPP_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/*.cu)
|
||||
endif()
|
||||
|
||||
cuda_compile_cubin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS
|
||||
-DUNIX -O3 -Xptxas -v --use_fast_math -DNV_KERNEL -DUCL_CUDADR -arch=${GPU_ARCH} -D_${GPU_PREC})
|
||||
|
||||
cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS $<$<BOOL:${BUILD_SHARED_LIBS}>:-Xcompiler=-fPIC>
|
||||
-DUNIX -O3 -Xptxas -v --use_fast_math -DUCL_CUDADR -arch=${GPU_ARCH} -D_${GPU_PREC})
|
||||
|
||||
foreach(CU_OBJ ${GPU_GEN_OBJS})
|
||||
get_filename_component(CU_NAME ${CU_OBJ} NAME_WE)
|
||||
string(REGEX REPLACE "^.*_lal_" "" CU_NAME "${CU_NAME}")
|
||||
add_custom_command(OUTPUT ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h
|
||||
COMMAND ${BIN2C} -c -n ${CU_NAME} ${CU_OBJ} > ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h
|
||||
DEPENDS ${CU_OBJ}
|
||||
COMMENT "Generating ${CU_NAME}_cubin.h")
|
||||
list(APPEND GPU_LIB_SOURCES ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h)
|
||||
endforeach()
|
||||
set_directory_properties(PROPERTIES ADDITIONAL_MAKE_CLEAN_FILES "${LAMMPS_LIB_BINARY_DIR}/gpu/*_cubin.h")
|
||||
|
||||
|
||||
add_library(gpu STATIC ${GPU_LIB_SOURCES} ${GPU_LIB_CUDPP_SOURCES} ${GPU_OBJS})
|
||||
target_link_libraries(gpu ${CUDA_LIBRARIES} ${CUDA_CUDA_LIBRARY})
|
||||
target_include_directories(gpu PRIVATE ${LAMMPS_LIB_BINARY_DIR}/gpu ${CUDA_INCLUDE_DIRS})
|
||||
target_compile_definitions(gpu PRIVATE -D_${GPU_PREC} -DMPI_GERYON -DUCL_NO_EXIT)
|
||||
if(CUDPP_OPT)
|
||||
target_include_directories(gpu PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini)
|
||||
target_compile_definitions(gpu PRIVATE -DUSE_CUDPP)
|
||||
endif()
|
||||
|
||||
list(APPEND LAMMPS_LINK_LIBS gpu)
|
||||
|
||||
add_executable(nvc_get_devices ${LAMMPS_LIB_SOURCE_DIR}/gpu/geryon/ucl_get_devices.cpp)
|
||||
target_compile_definitions(nvc_get_devices PRIVATE -DUCL_CUDADR)
|
||||
target_link_libraries(nvc_get_devices PRIVATE ${CUDA_LIBRARIES} ${CUDA_CUDA_LIBRARY})
|
||||
target_include_directories(nvc_get_devices PRIVATE ${CUDA_INCLUDE_DIRS})
|
||||
|
||||
|
||||
elseif(GPU_API STREQUAL "OpenCL")
|
||||
find_package(OpenCL REQUIRED)
|
||||
if(OpenCL_FOUND)
|
||||
set(OCL_TUNE "GENERIC" CACHE STRING "OpenCL Device Tuning")
|
||||
set_property(CACHE OCL_TUNE PROPERTY STRINGS INTEL FERMI KEPLER CYPRESS GENERIC)
|
||||
|
||||
include(OpenCLUtils)
|
||||
set(OCL_COMMON_HEADERS ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_preprocessor.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_aux_fun1.h)
|
||||
|
||||
file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/*.cu)
|
||||
list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne.cu ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne_lj.cu)
|
||||
|
||||
foreach(GPU_KERNEL ${GPU_LIB_CU})
|
||||
get_filename_component(basename ${GPU_KERNEL} NAME_WE)
|
||||
string(SUBSTRING ${basename} 4 -1 KERNEL_NAME)
|
||||
GenerateOpenCLHeader(${KERNEL_NAME} ${CMAKE_CURRENT_BINARY_DIR}/gpu/${KERNEL_NAME}_cl.h ${OCL_COMMON_HEADERS} ${GPU_KERNEL})
|
||||
list(APPEND GPU_LIB_SOURCES ${CMAKE_CURRENT_BINARY_DIR}/gpu/${KERNEL_NAME}_cl.h)
|
||||
endforeach()
|
||||
|
||||
GenerateOpenCLHeader(gayberne ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_ellipsoid_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne.cu)
|
||||
GenerateOpenCLHeader(gayberne_lj ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_lj_cl.h ${OCL_COMMON_HEADERS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_ellipsoid_extra.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne_lj.cu)
|
||||
list(APPEND GPU_LIB_SOURCES ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_cl.h ${CMAKE_CURRENT_BINARY_DIR}/gpu/gayberne_lj_cl.h)
|
||||
|
||||
add_library(gpu STATIC ${GPU_LIB_SOURCES})
|
||||
target_link_libraries(gpu ${OpenCL_LIBRARIES})
|
||||
target_include_directories(gpu PRIVATE ${CMAKE_CURRENT_BINARY_DIR}/gpu ${OpenCL_INCLUDE_DIRS})
|
||||
target_compile_definitions(gpu PRIVATE -D_${GPU_PREC} -DMPI_GERYON -DUCL_NO_EXIT)
|
||||
target_compile_definitions(gpu PRIVATE -DUSE_OPENCL)
|
||||
|
||||
list(APPEND LAMMPS_LINK_LIBS gpu)
|
||||
|
||||
add_executable(ocl_get_devices ${LAMMPS_LIB_SOURCE_DIR}/gpu/geryon/ucl_get_devices.cpp)
|
||||
target_compile_definitions(ocl_get_devices PRIVATE -DUCL_OPENCL)
|
||||
target_link_libraries(ocl_get_devices PRIVATE ${OpenCL_LIBRARIES})
|
||||
target_include_directories(ocl_get_devices PRIVATE ${OpenCL_INCLUDE_DIRS})
|
||||
endif()
|
||||
endif()
|
||||
|
||||
# GPU package
|
||||
FindStyleHeaders(${GPU_SOURCES_DIR} FIX_CLASS fix_ FIX)
|
||||
|
||||
set_property(GLOBAL PROPERTY "GPU_SOURCES" "${GPU_SOURCES}")
|
||||
|
||||
# detects styles which have GPU version
|
||||
RegisterStylesExt(${GPU_SOURCES_DIR} opt GPU_SOURCES)
|
||||
RegisterStylesExt(${GPU_SOURCES_DIR} gpu GPU_SOURCES)
|
||||
|
||||
get_property(GPU_SOURCES GLOBAL PROPERTY GPU_SOURCES)
|
||||
|
||||
file(GLOB GPU_LIB_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/*.cpp)
|
||||
file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/*.cu ${CMAKE_SOURCE_DIR}/gpu/*.cu)
|
||||
file(GLOB_RECURSE GPU_NOT_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_pppm.cu)
|
||||
list(REMOVE_ITEM GPU_LIB_CU ${GPU_NOT_LIB_CU})
|
||||
include_directories(${GPU_SOURCES_DIR} ${LAMMPS_LIB_SOURCE_DIR}/gpu ${LAMMPS_LIB_BINARY_DIR}/gpu)
|
||||
if(CUDPP_OPT)
|
||||
include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini)
|
||||
add_definitions(-DCUDPP_OPT)
|
||||
file(GLOB GPU_LIB_CUDPP_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/*.cpp)
|
||||
file(GLOB GPU_LIB_CUDPP_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/*.cu)
|
||||
endif()
|
||||
cuda_compile(GPU_OBJS ${GPU_LIB_CU} ${GPU_LIB_CUDPP_CU} OPTIONS $<$<BOOL:${BUILD_SHARED_LIBS}>:-Xcompiler=-fPIC>)
|
||||
file(MAKE_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/gpu)
|
||||
foreach(CU_OBJ ${GPU_OBJS})
|
||||
get_filename_component(CU_NAME ${CU_OBJ} NAME_WE)
|
||||
string(REGEX REPLACE "^.*_lal_" "" CU_NAME "${CU_NAME}")
|
||||
add_custom_command(OUTPUT ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h
|
||||
COMMAND ${BIN2C} -c -n ${CU_NAME} ${CU_OBJ} > ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h
|
||||
DEPENDS ${CU_OBJ}
|
||||
COMMENT "Generating ${CU_NAME}_cubin.h")
|
||||
list(APPEND LIB_SOURCES ${LAMMPS_LIB_BINARY_DIR}/gpu/${CU_NAME}_cubin.h)
|
||||
if(${CU_NAME} STREQUAL "pppm_d") #pppm_d doesn't get linked into the lib
|
||||
set(CU_FORBIDDEN_OBJ "${CU_OBJ}")
|
||||
endif()
|
||||
endforeach()
|
||||
list(REMOVE_ITEM GPU_OBJS "${CU_FORBIDDEN_OBJ}")
|
||||
list(APPEND LIB_SOURCES ${GPU_SOURCES} ${GPU_LIB_SOURCES} ${GPU_LIB_CUDPP_SOURCES} ${GPU_OBJS})
|
||||
set_directory_properties(PROPERTIES ADDITIONAL_MAKE_CLEAN_FILES "${LAMMPS_LIB_BINARY_DIR}/gpu/*_cubin.h")
|
||||
|
||||
list(APPEND LIB_SOURCES ${GPU_SOURCES})
|
||||
include_directories(${GPU_SOURCES_DIR})
|
||||
endif()
|
||||
|
||||
######################################################
|
||||
# Generate style headers based on global list of
|
||||
# styles registered during package selection
|
||||
# styles registered during package selection
|
||||
######################################################
|
||||
set(LAMMPS_STYLE_HEADERS_DIR ${CMAKE_CURRENT_BINARY_DIR}/styles)
|
||||
|
||||
|
|
@ -537,12 +645,12 @@ include_directories(${LAMMPS_STYLE_HEADERS_DIR})
|
|||
############################################
|
||||
add_library(lammps ${LIB_SOURCES})
|
||||
target_link_libraries(lammps ${LAMMPS_LINK_LIBS})
|
||||
set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION} OUTPUT_NAME lammps$<$<BOOL:${LAMMPS_MACHINE}>:_>${LAMMPS_MACHINE})
|
||||
if(INSTALL_LIB)
|
||||
if(BUILD_SHARED_LIBS)
|
||||
set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION})
|
||||
install(TARGETS lammps LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})
|
||||
install(FILES ${LAMMPS_SOURCE_DIR}/lammps.h DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
|
||||
elseif(BUILD_SHARED_LIBS)
|
||||
message(FATAL_ERROR "Shared library has to be installed, use -DINSTALL_LIB=ON to install lammps with a library")
|
||||
install(FILES ${LAMMPS_SOURCE_DIR}/library.h DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/lammps)
|
||||
configure_file(pkgconfig/liblammps.pc.in ${CMAKE_CURRENT_BINARY_DIR}/liblammps.pc @ONLY)
|
||||
install(FILES ${CMAKE_CURRENT_BINARY_DIR}/liblammps.pc DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig)
|
||||
endif()
|
||||
|
||||
add_executable(lmp ${LMP_SOURCES})
|
||||
|
|
|
|||
|
|
@ -0,0 +1,18 @@
|
|||
function(GenerateOpenCLHeader varname outfile files)
|
||||
message("Creating ${outfile}...")
|
||||
file(WRITE ${outfile} "const char * ${varname} = \n")
|
||||
math(EXPR ARG_END "${ARGC}-1")
|
||||
|
||||
foreach(IDX RANGE 2 ${ARG_END})
|
||||
list(GET ARGV ${IDX} filename)
|
||||
file(READ ${filename} content)
|
||||
string(REGEX REPLACE "\\s*//[^\n]*\n" "" content "${content}")
|
||||
string(REGEX REPLACE "\\\\" "\\\\\\\\" content "${content}")
|
||||
string(REGEX REPLACE "\"" "\\\\\"" content "${content}")
|
||||
string(REGEX REPLACE "([^\n]+)\n" "\"\\1\\\\n\"\n" content "${content}")
|
||||
string(REGEX REPLACE "\n+" "\n" content "${content}")
|
||||
file(APPEND ${outfile} "${content}")
|
||||
endforeach()
|
||||
|
||||
file(APPEND ${outfile} ";\n")
|
||||
endfunction(GenerateOpenCLHeader)
|
||||
|
|
@ -0,0 +1,18 @@
|
|||
# pkg-config file for lammps
|
||||
# https://people.freedesktop.org/~dbn/pkg-config-guide.html
|
||||
# Usage: cc `pkg-config --cflags --libs liblammps` -o myapp myapp.c
|
||||
# after you added @CMAKE_INSTALL_FULL_LIBDIR@/pkg-config to PKG_CONFIG_PATH,
|
||||
# e.g. export PKG_CONFIG_PATH=@CMAKE_INSTALL_FULL_LIBDIR@/pkgconfig
|
||||
|
||||
prefix=@CMAKE_INSTALL_FULL_PREFIX@
|
||||
libdir=@CMAKE_INSTALL_FULL_LIBDIR@
|
||||
includedir=@CMAKE_INSTALL_FULL_INCLUDEDIR@
|
||||
|
||||
Name: liblammps
|
||||
Description: Large-scale Atomic/Molecular Massively Parallel Simulator Library
|
||||
URL: http://lammps.sandia.gov
|
||||
Version:
|
||||
Requires:
|
||||
Libs: -L${libdir} -llammps
|
||||
Libs.private: -lm
|
||||
Cflags: -I${includedir} @LAMMPS_API_DEFINES@
|
||||
Loading…
Reference in New Issue