101 lines
5.1 KiB
CMake
101 lines
5.1 KiB
CMake
if(PKG_KOKKOS)
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option(EXTERNAL_KOKKOS "Build against external kokkos library" OFF)
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option(DOWNLOAD_KOKKOS "Download the KOKKOS library instead of using the bundled one" OFF)
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if(DOWNLOAD_KOKKOS)
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if(CMAKE_VERSION VERSION_LESS 3.11)
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message(FATAL_ERROR "Downloading kokkos currently only works with cmake-3.11 and higher")
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endif()
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message(STATUS "KOKKOS download requested - we will build our own")
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file(DOWNLOAD https://github.com/kokkos/kokkos/compare/3.0.00...stanmoore1:lammps.diff ${CMAKE_CURRENT_BINARY_DIR}/kokkos-lammps.patch)
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include(ExternalProject)
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ExternalProject_Add(kokkos_build
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URL https://github.com/kokkos/kokkos/archive/3.0.00.tar.gz
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URL_MD5 281c7093aa3a603276e93abdf4be23b9
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PATCH_COMMAND patch -p1 < ${CMAKE_CURRENT_BINARY_DIR}/kokkos-lammps.patch
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CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC}
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-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DCMAKE_INSTALL_LIBDIR=lib
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-DCMAKE_MAKE_PROGRAM=${CMAKE_MAKE_PROGRAM} -DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE}
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BUILD_BYPRODUCTS <INSTALL_DIR>/lib/libkokkoscore.a
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)
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ExternalProject_get_property(kokkos_build INSTALL_DIR)
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file(MAKE_DIRECTORY ${INSTALL_DIR}/include)
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add_library(LAMMPS::KOKKOS UNKNOWN IMPORTED)
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set_target_properties(LAMMPS::KOKKOS PROPERTIES
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IMPORTED_LOCATION "${INSTALL_DIR}/lib/libkokkoscore.a"
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INTERFACE_INCLUDE_DIRECTORIES "${INSTALL_DIR}/include"
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INTERFACE_LINK_LIBRARIES ${CMAKE_DL_LIBS})
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target_link_libraries(lammps PRIVATE LAMMPS::KOKKOS)
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add_dependencies(LAMMPS::KOKKOS kokkos_build)
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elseif(EXTERNAL_KOKKOS)
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find_package(Kokkos 3)
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if(NOT Kokkos_FOUND)
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message(FATAL_ERROR "KOKKOS library not found, help CMake to find it by setting KOKKOS_LIBRARY, or set DOWNLOAD_KOKKOS=ON to download it")
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endif()
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target_link_libraries(lammps PRIVATE Kokkos::kokkos)
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else()
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set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)
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set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)
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add_subdirectory(${LAMMPS_LIB_KOKKOS_SRC_DIR} ${LAMMPS_LIB_KOKKOS_BIN_DIR})
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set(Kokkos_INCLUDE_DIRS ${LAMMPS_LIB_KOKKOS_SRC_DIR}/core/src
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${LAMMPS_LIB_KOKKOS_SRC_DIR}/containers/src
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${LAMMPS_LIB_KOKKOS_SRC_DIR}/algorithms/src
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${LAMMPS_LIB_KOKKOS_BIN_DIR})
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target_include_directories(lammps PRIVATE ${Kokkos_INCLUDE_DIRS})
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target_link_libraries(lammps PRIVATE kokkos)
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endif()
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target_compile_definitions(lammps PRIVATE -DLMP_KOKKOS)
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set(KOKKOS_PKG_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/KOKKOS)
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set(KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/atom_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/atom_vec_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/comm_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/comm_tiled_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/min_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/min_linesearch_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/neighbor_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/neigh_list_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/neigh_bond_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/fix_nh_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/npair_halffull_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/domain_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)
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if(PKG_KSPACE)
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list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/fft3d_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/gridcomm_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/remap_kokkos.cpp)
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if(KOKKOS_ENABLE_CUDA)
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if(NOT ${FFT} STREQUAL "KISS")
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target_compile_definitions(lammps PRIVATE -DFFT_CUFFT)
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target_link_libraries(lammps PRIVATE cufft)
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endif()
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endif()
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endif()
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set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
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# detects styles which have KOKKOS version
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RegisterStylesExt(${KOKKOS_PKG_SOURCES_DIR} kokkos KOKKOS_PKG_SOURCES)
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# register kokkos-only styles
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RegisterNBinStyle(${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.h)
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RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.h)
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RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_halffull_kokkos.h)
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if(PKG_USER-DPD)
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get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
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list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.cpp)
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RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.h)
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set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
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endif()
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get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
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target_sources(lammps PRIVATE ${KOKKOS_PKG_SOURCES})
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target_include_directories(lammps PRIVATE ${KOKKOS_PKG_SOURCES_DIR})
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endif()
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