forked from lijiext/lammps
cmake: clean up and updated comments
This commit is contained in:
Christoph Junghans
parent
babba1870e
commit
01bcb79bdc
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@ -1,3 +1,7 @@
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########################################
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# CMake build system
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# This file is part of LAMMPS
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# Created by Christoph Junghans and Richard Berger
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cmake_minimum_required(VERSION 3.1)
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project(lammps)
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@ -6,6 +10,7 @@ set(LAMMPS_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../src)
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set(LAMMPS_LIB_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../lib)
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set(LAMMPS_LIB_BINARY_DIR ${CMAKE_BINARY_DIR}/lib)
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#To not conflict with old Makefile build system, we build everything here
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file(GLOB LIB_SOURCES ${LAMMPS_SOURCE_DIR}/*.cpp)
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file(GLOB LMP_SOURCES ${LAMMPS_SOURCE_DIR}/main.cpp)
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list(REMOVE_ITEM LIB_SOURCES ${LMP_SOURCES})
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@ -32,7 +37,6 @@ enable_language(CXX)
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# compiler tests
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# these need ot be done early (before further tests).
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#####################################################################
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include(CheckCCompilerFlag)
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########################################################################
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@ -98,6 +102,9 @@ pkg_depends(USER-LB MPI)
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pkg_depends(USER-MISC MANYBODY)
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pkg_depends(USER-PHONON KSPACE)
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######################################################
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# packages with special compiler needs or external libs
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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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endif()
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@ -139,21 +146,6 @@ if(ENABLE_MISC)
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endif()
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endif()
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if(ENABLE_KOKKOS)
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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 ${LAMMPS_LIB_BINARY_DIR}/kokkos)
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add_definitions(-DLMP_KOKKOS)
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add_subdirectory(${LAMMPS_LIB_KOKKOS_SRC_DIR} ${LAMMPS_LIB_KOKKOS_BIN_DIR})
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# TODO there probably is a better way
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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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include_directories(${Kokkos_INCLUDE_DIRS})
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list(APPEND LAMMPS_LINK_LIBS kokkos)
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endif()
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if(ENABLE_MSCG OR ENABLE_USER-ATC OR ENABLE_USER-AWPMD OR ENABLE_USER-QUIP)
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find_package(LAPACK)
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if(LAPACK_FOUND)
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@ -209,7 +201,6 @@ if(ENABLE_VORONOI)
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find_package(VORO REQUIRED) #some distros
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include_directories(${VORO_INCLUDE_DIRS})
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list(APPEND LAMMPS_LINK_LIBS ${VORO_LIBRARIES})
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#TODO download and build voro++
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endif()
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if(ENABLE_USER-MOLFILE)
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@ -239,65 +230,6 @@ if(ENABLE_USER-QMMM)
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list(APPEND LAMMPS_LINK_LIBS ${QE_LIBRARIES} ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
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endif()
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########################################################################
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# Basic system tests (standard libraries, headers, functions, types) #
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########################################################################
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include(CheckIncludeFile)
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foreach(HEADER math.h)
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check_include_file(${HEADER} FOUND_${HEADER})
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if(NOT FOUND_${HEADER})
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message(FATAL_ERROR "Could not find needed header - ${HEADER}")
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endif(NOT FOUND_${HEADER})
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endforeach(HEADER)
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set(MATH_LIBRARIES "m" CACHE STRING "math library")
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mark_as_advanced( MATH_LIBRARIES )
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include(CheckLibraryExists)
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foreach(FUNC sin cos)
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check_library_exists(${MATH_LIBRARIES} ${FUNC} "" FOUND_${FUNC}_${MATH_LIBRARIES})
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if(NOT FOUND_${FUNC}_${MATH_LIBRARIES})
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message(FATAL_ERROR "Could not find needed math function - ${FUNC}")
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endif(NOT FOUND_${FUNC}_${MATH_LIBRARIES})
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endforeach(FUNC)
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list(APPEND LAMMPS_LINK_LIBS ${MATH_LIBRARIES})
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######################################
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# Include the following subdirectory #
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######################################
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#Do NOT go into src to not conflict with old Makefile build system
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#add_subdirectory(src)
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include(StyleHeaderUtils)
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RegisterStyles(${LAMMPS_SOURCE_DIR})
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# packages which include entire content when enabled
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foreach(PKG ${PACKAGES} ${USER-PACKAGES})
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if(ENABLE_${PKG})
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set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG})
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# detects styles in package and adds them to global list
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RegisterStyles(${${PKG}_SOURCES_DIR})
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file(GLOB ${PKG}_SOURCES ${${PKG}_SOURCES_DIR}/*.cpp)
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list(APPEND LIB_SOURCES ${${PKG}_SOURCES})
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include_directories(${${PKG}_SOURCES_DIR})
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endif()
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endforeach()
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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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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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endif()
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endforeach()
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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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@ -348,11 +280,69 @@ if(ENABLE_MSCG)
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list(APPEND LAMMPS_LINK_LIBS ${GSL_LIBRARIES})
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endif()
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########################################################################
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# Basic system tests (standard libraries, headers, functions, types) #
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########################################################################
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include(CheckIncludeFile)
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foreach(HEADER math.h)
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check_include_file(${HEADER} FOUND_${HEADER})
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if(NOT FOUND_${HEADER})
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message(FATAL_ERROR "Could not find needed header - ${HEADER}")
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endif(NOT FOUND_${HEADER})
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endforeach(HEADER)
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set(MATH_LIBRARIES "m" CACHE STRING "math library")
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mark_as_advanced( MATH_LIBRARIES )
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include(CheckLibraryExists)
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foreach(FUNC sin cos)
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check_library_exists(${MATH_LIBRARIES} ${FUNC} "" FOUND_${FUNC}_${MATH_LIBRARIES})
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if(NOT FOUND_${FUNC}_${MATH_LIBRARIES})
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message(FATAL_ERROR "Could not find needed math function - ${FUNC}")
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endif(NOT FOUND_${FUNC}_${MATH_LIBRARIES})
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endforeach(FUNC)
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list(APPEND LAMMPS_LINK_LIBS ${MATH_LIBRARIES})
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######################################
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# Generate Basic Style files
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######################################
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include(StyleHeaderUtils)
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RegisterStyles(${LAMMPS_SOURCE_DIR})
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##############################################
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# add sources of enabled packages
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############################################
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foreach(PKG ${PACKAGES} ${USER-PACKAGES})
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if(ENABLE_${PKG})
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set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG})
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# detects styles in package and adds them to global list
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RegisterStyles(${${PKG}_SOURCES_DIR})
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file(GLOB ${PKG}_SOURCES ${${PKG}_SOURCES_DIR}/*.cpp)
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list(APPEND LIB_SOURCES ${${PKG}_SOURCES})
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include_directories(${${PKG}_SOURCES_DIR})
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endif()
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endforeach()
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##############################################
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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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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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endif()
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endforeach()
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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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######################################################################
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if(ENABLE_USER-OMP)
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set(USER-OMP_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-OMP)
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set(USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/thr_data.cpp
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@ -371,27 +361,39 @@ if(ENABLE_USER-OMP)
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endif()
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if(ENABLE_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}/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}/domain_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)
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set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
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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 ${LAMMPS_LIB_BINARY_DIR}/kokkos)
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add_definitions(-DLMP_KOKKOS)
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add_subdirectory(${LAMMPS_LIB_KOKKOS_SRC_DIR} ${LAMMPS_LIB_KOKKOS_BIN_DIR})
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# detects styles which have KOKKOS version
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RegisterStylesExt(${KOKKOS_PKG_SOURCES_DIR} kokkos KOKKOS_PKG_SOURCES)
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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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include_directories(${Kokkos_INCLUDE_DIRS})
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list(APPEND LAMMPS_LINK_LIBS kokkos)
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get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
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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}/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}/domain_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)
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set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
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list(APPEND LIB_SOURCES ${KOKKOS_PKG_SOURCES})
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include_directories(${KOKKOS_PKG_SOURCES_DIR})
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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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get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
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list(APPEND LIB_SOURCES ${KOKKOS_PKG_SOURCES})
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include_directories(${KOKKOS_PKG_SOURCES_DIR})
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endif()
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if(ENABLE_OPT)
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@ -487,11 +489,12 @@ GenerateStyleHeaders(${LAMMPS_STYLE_HEADERS_DIR})
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include_directories(${LAMMPS_SOURCE_DIR})
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include_directories(${LAMMPS_STYLE_HEADERS_DIR})
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###########################################
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# Actually add executable and lib to build
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############################################
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add_library(lammps ${LIB_SOURCES})
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target_link_libraries(lammps ${LAMMPS_LINK_LIBS})
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set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION})
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if(INSTALL_LIB)
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install(TARGETS lammps LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})
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install(FILES ${LAMMPS_SOURCE_DIR}/lammps.h DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
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@ -501,9 +504,11 @@ endif()
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add_executable(lmp ${LMP_SOURCES})
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target_link_libraries(lmp lammps)
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install(TARGETS lmp DESTINATION ${CMAKE_INSTALL_BINDIR})
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##################################
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# Print package summary
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##################################
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foreach(PKG ${PACKAGES} ${USER-PACKAGES} ${ACCEL_PACKAGES})
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if(ENABLE_${PKG})
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message(STATUS "Building package: ${PKG}")
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