Commit 99a8d3c2 authored by Richard Berger's avatar Richard Berger
Browse files

Create CMake files for several packages 

This remove the CMake configuration of several larger packages and places
it into their own files in the Modules/Packages folder.
 - COMPRESS
 - KIM
 - LATTE
 - MESSAGE
 - MSCG
 - USER-MOLFILE
 - USER-NETCDF
 - USER-PLUMED
 - USER-QMMM
 - USER-QUIP
 - USER-SCAFACOS
 - USER-SMD
 - USER-VTK
parent ca144578

cmake/CMakeLists.txt

+12 −354
Original line number Diff line number Diff line
@@ -356,360 +356,18 @@ else() 
endif()



include(Packages/VORONOI)



if(PKG_LATTE)

  find_package(LATTE)

  if(LATTE_FOUND)

    set(DOWNLOAD_LATTE_DEFAULT OFF)

  else()

    set(DOWNLOAD_LATTE_DEFAULT ON)

  endif()

  option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" ${DOWNLOAD_LATTE_DEFAULT})

  if(DOWNLOAD_LATTE)

    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR

      message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7")

    endif()

    message(STATUS "LATTE download requested - we will build our own")

    include(ExternalProject)

    ExternalProject_Add(latte_build

      URL https://github.com/lanl/LATTE/archive/v1.2.1.tar.gz

      URL_MD5 85ac414fdada2d04619c8f936344df14

      SOURCE_SUBDIR cmake

      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC}

      -DBLAS_LIBRARIES=${BLAS_LIBRARIES} -DLAPACK_LIBRARIES=${LAPACK_LIBRARIES}

      -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} -DCMAKE_Fortran_FLAGS=${CMAKE_Fortran_FLAGS}

      -DCMAKE_Fortran_FLAGS_${BTYPE}=${CMAKE_Fortran_FLAGS_${BTYPE}} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}

    )

    ExternalProject_get_property(latte_build INSTALL_DIR)

    set(LATTE_LIBRARIES ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/liblatte.a)

    list(APPEND LAMMPS_DEPS latte_build)

  else()

    find_package(LATTE)

    if(NOT LATTE_FOUND)

      message(FATAL_ERROR "LATTE library not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it")

    endif()

  endif()

  list(APPEND LAMMPS_LINK_LIBS ${LATTE_LIBRARIES} ${LAPACK_LIBRARIES})

endif()



if(PKG_USER-SCAFACOS)

  find_package(GSL REQUIRED)

  find_package(PkgConfig QUIET)

  set(DOWNLOAD_SCAFACOS_DEFAULT ON)

  if(PKG_CONFIG_FOUND)

    pkg_check_modules(SCAFACOS QUIET scafacos)

    if(SCAFACOS_FOUND)

      set(DOWNLOAD_SCAFACOS_DEFAULT OFF)

    endif()

  endif()

  option(DOWNLOAD_SCAFACOS "Download ScaFaCoS library instead of using an already installed one" ${DOWNLOAD_SCAFACOS_DEFAULT})

  if(DOWNLOAD_SCAFACOS)

    message(STATUS "ScaFaCoS download requested - we will build our own")

    include(ExternalProject)

    ExternalProject_Add(scafacos_build

      URL https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz

      URL_MD5 bd46d74e3296bd8a444d731bb10c1738

      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> --disable-doc

                                               --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m

                                               --with-internal-fftw --with-internal-pfft

                                               --with-internal-pnfft ${CONFIGURE_REQUEST_PIC}

                                               FC=${CMAKE_MPI_Fortran_COMPILER}

                                               CXX=${CMAKE_MPI_CXX_COMPILER}

                                               CC=${CMAKE_MPI_C_COMPILER}

                                               F77=

    )

    ExternalProject_get_property(scafacos_build INSTALL_DIR)

    set(SCAFACOS_BUILD_DIR ${INSTALL_DIR})

    set(SCAFACOS_INCLUDE_DIRS ${SCAFACOS_BUILD_DIR}/include)

    list(APPEND LAMMPS_DEPS scafacos_build)

    # list and order from pkg_config file of ScaFaCoS build

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_direct.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_ewald.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fmm.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_p2nfft.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_p3m.a)

    list(APPEND LAMMPS_LINK_LIBS ${GSL_LIBRARIES})

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_near.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_gridsort.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_resort.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_redist.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_common.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_pnfft.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_pfft.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fftw3_mpi.a)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_BUILD_DIR}/lib/libfcs_fftw3.a)

    list(APPEND LAMMPS_LINK_LIBS ${MPI_Fortran_LIBRARIES})

    list(APPEND LAMMPS_LINK_LIBS ${MPI_C_LIBRARIES})

  else()

    find_package(PkgConfig REQUIRED)

    pkg_check_modules(SCAFACOS REQUIRED scafacos)

    list(APPEND LAMMPS_LINK_LIBS ${SCAFACOS_LDFLAGS})

  endif()

  include_directories(${SCAFACOS_INCLUDE_DIRS})

endif()



if(PKG_USER-PLUMED)

  find_package(GSL REQUIRED)

  set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library")

  set(PLUMED_MODE_VALUES static shared runtime)

  set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES})

  validate_option(PLUMED_MODE PLUMED_MODE_VALUES)

  string(TOUPPER ${PLUMED_MODE} PLUMED_MODE)



  find_package(PkgConfig QUIET)

  set(DOWNLOAD_PLUMED_DEFAULT ON)

  if(PKG_CONFIG_FOUND)

    pkg_check_modules(PLUMED QUIET plumed)

    if(PLUMED_FOUND)

      set(DOWNLOAD_PLUMED_DEFAULT OFF)

    endif()

  endif()



  option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" ${DOWNLOAD_PLUMED_DEFAULT})

  if(DOWNLOAD_PLUMED)

    if(BUILD_MPI)

      set(PLUMED_CONFIG_MPI "--enable-mpi")

      set(PLUMED_CONFIG_CC  ${CMAKE_MPI_C_COMPILER})

      set(PLUMED_CONFIG_CXX  ${CMAKE_MPI_CXX_COMPILER})

    else()

      set(PLUMED_CONFIG_MPI "--disable-mpi")

      set(PLUMED_CONFIG_CC  ${CMAKE_C_COMPILER})

      set(PLUMED_CONFIG_CXX  ${CMAKE_CXX_COMPILER})

    endif()

    if(BUILD_OMP)

      set(PLUMED_CONFIG_OMP "--enable-openmp")

    else()

      set(PLUMED_CONFIG_OMP "--disable-openmp")

    endif()

    message(STATUS "PLUMED download requested - we will build our own")

    include(ExternalProject)

    ExternalProject_Add(plumed_build

      URL https://github.com/plumed/plumed2/releases/download/v2.5.1/plumed-src-2.5.1.tgz

      URL_MD5 c2a7b519e32197a120cdf47e0f194f81

      BUILD_IN_SOURCE 1

      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>

                                               ${CONFIGURE_REQUEST_PIC}

                                               --enable-modules=all

                                               ${PLUMED_CONFIG_MPI}

                                               ${PLUMED_CONFIG_OMP}

                                               CXX=${PLUMED_CONFIG_CXX}

                                               CC=${PLUMED_CONFIG_CC}

    )

    ExternalProject_get_property(plumed_build INSTALL_DIR)

    set(PLUMED_INSTALL_DIR ${INSTALL_DIR})

    list(APPEND LAMMPS_DEPS plumed_build)

    if(PLUMED_MODE STREQUAL "STATIC")

      add_definitions(-D__PLUMED_WRAPPER_CXX=1)

      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.a ${GSL_LIBRARIES} ${LAPACK_LIBRARIES} ${CMAKE_DL_LIBS})

    elseif(PLUMED_MODE STREQUAL "SHARED")

      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.so ${PLUMED_INSTALL_DIR}/lib/libplumedKernel.so ${CMAKE_DL_LIBS})

    elseif(PLUMED_MODE STREQUAL "RUNTIME")

      add_definitions(-D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=${PLUMED_INSTALL_DIR}/lib/libplumedKernel.so)

      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumedWrapper.a -rdynamic ${CMAKE_DL_LIBS})

    endif()

    set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include")

  else()

    find_package(PkgConfig REQUIRED)

    pkg_check_modules(PLUMED REQUIRED plumed)

    if(PLUMED_MODE STREQUAL "STATIC")

      add_definitions(-D__PLUMED_WRAPPER_CXX=1)

      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static)

    elseif(PLUMED_MODE STREQUAL "SHARED")

      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared)

    elseif(PLUMED_MODE STREQUAL "RUNTIME")

      add_definitions(-D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/libplumedKernel.so)

      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime)

    endif()

    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LOAD})

  endif()

  include_directories(${PLUMED_INCLUDE_DIRS})

endif()



if(PKG_USER-MOLFILE)

  set(MOLFILE_INCLUDE_DIRS "${LAMMPS_LIB_SOURCE_DIR}/molfile" CACHE STRING "Path to VMD molfile plugin headers")

  add_library(molfile INTERFACE)

  target_include_directories(molfile INTERFACE ${MOLFILE_INCLUDE_DIRS})

  # no need to link with -ldl on windows

  if(NOT ${CMAKE_SYSTEM_NAME} STREQUAL "Windows")

    target_link_libraries(molfile INTERFACE ${CMAKE_DL_LIBS})

  endif()

  list(APPEND LAMMPS_LINK_LIBS molfile)

endif()



if(PKG_USER-NETCDF)

  find_package(NetCDF REQUIRED)

  include_directories(${NETCDF_INCLUDE_DIRS})

  list(APPEND LAMMPS_LINK_LIBS ${NETCDF_LIBRARIES})

  add_definitions(-DLMP_HAS_NETCDF -DNC_64BIT_DATA=0x0020)

endif()



if(PKG_USER-SMD)

  find_package(Eigen3 NO_MODULE)

  if(EIGEN3_FOUND)

    set(DOWNLOAD_EIGEN3_DEFAULT OFF)

  else()

    set(DOWNLOAD_EIGEN3_DEFAULT ON)

  endif()

  option(DOWNLOAD_EIGEN3 "Download Eigen3 instead of using an already installed one)" ${DOWNLOAD_EIGEN3_DEFAULT})

  if(DOWNLOAD_EIGEN3)

    message(STATUS "Eigen3 download requested - we will build our own")

    include(ExternalProject)

    ExternalProject_Add(Eigen3_build

      URL http://bitbucket.org/eigen/eigen/get/3.3.7.tar.gz

      URL_MD5 f2a417d083fe8ca4b8ed2bc613d20f07

      CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND ""

    )

    ExternalProject_get_property(Eigen3_build SOURCE_DIR)

    set(EIGEN3_INCLUDE_DIR ${SOURCE_DIR})

    list(APPEND LAMMPS_DEPS Eigen3_build)

  else()

    find_package(Eigen3 NO_MODULE)

    mark_as_advanced(Eigen3_DIR)

    if(NOT EIGEN3_FOUND)

      message(FATAL_ERROR "Eigen3 not found, help CMake to find it by setting EIGEN3_INCLUDE_DIR, or set DOWNLOAD_EIGEN3=ON to download it")

    endif()

  endif()

  include_directories(${EIGEN3_INCLUDE_DIR})

endif()



if(PKG_USER-QUIP)

  find_package(QUIP REQUIRED)

  list(APPEND LAMMPS_LINK_LIBS ${QUIP_LIBRARIES} ${LAPACK_LIBRARIES})

endif()



if(PKG_USER-QMMM)

  message(WARNING "Building QMMM with CMake is still experimental")

  find_package(QE REQUIRED)

  include_directories(${QE_INCLUDE_DIRS})

  list(APPEND LAMMPS_LINK_LIBS ${QE_LIBRARIES})

endif()



if(PKG_USER-VTK)

  find_package(VTK REQUIRED NO_MODULE)

  include(${VTK_USE_FILE})

  add_definitions(-DLAMMPS_VTK)

  list(APPEND LAMMPS_LINK_LIBS ${VTK_LIBRARIES})

endif()



if(PKG_KIM)

  find_package(CURL)

  if(CURL_FOUND)

    include_directories(${CURL_INCLUDE_DIRS})

    list(APPEND LAMMPS_LINK_LIBS ${CURL_LIBRARIES})

    add_definitions(-DLMP_KIM_CURL)

  endif()

  find_package(KIM-API QUIET)

  if(KIM-API_FOUND)

    set(DOWNLOAD_KIM_DEFAULT OFF)

  else()

    set(DOWNLOAD_KIM_DEFAULT ON)

  endif()

  option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT})

  if(DOWNLOAD_KIM)

    message(STATUS "KIM-API download requested - we will build our own")

    enable_language(C)

    enable_language(Fortran)

    include(ExternalProject)

    ExternalProject_Add(kim_build

      URL https://s3.openkim.org/kim-api/kim-api-2.0.2.txz

      URL_MD5 537d9c0abd30f85b875ebb584f9143fa

      BINARY_DIR build

      CMAKE_ARGS -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}

                 -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}

                 -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER}

                 -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR>

                 -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}

      )

    ExternalProject_get_property(kim_build INSTALL_DIR)

    set(KIM-API_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api)

    set(KIM-API_LDFLAGS ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX})

    list(APPEND LAMMPS_DEPS kim_build)

  else()

    find_package(KIM-API REQUIRED)

  endif()

  list(APPEND LAMMPS_LINK_LIBS "${KIM-API_LDFLAGS}")

  include_directories(${KIM-API_INCLUDE_DIRS})

endif()



if(PKG_MESSAGE)

  option(MESSAGE_ZMQ "Use ZeroMQ in MESSAGE package" OFF)

  file(GLOB_RECURSE cslib_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.F

      ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.c

      ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.cpp)



  add_library(cslib STATIC ${cslib_SOURCES})

  if(BUILD_MPI)

    target_compile_definitions(cslib PRIVATE -DMPI_YES)

    set_target_properties(cslib PROPERTIES OUTPUT_NAME "csmpi")

  else()

    target_compile_definitions(cslib PRIVATE -DMPI_NO)

    target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_MPI)

    set_target_properties(cslib PROPERTIES OUTPUT_NAME "csnompi")

  endif()



  if(MESSAGE_ZMQ)

    target_compile_definitions(cslib PRIVATE -DZMQ_YES)

    find_package(ZMQ REQUIRED)

    target_include_directories(cslib PRIVATE ${ZMQ_INCLUDE_DIRS})

    target_link_libraries(cslib PUBLIC ${ZMQ_LIBRARIES})

  else()

    target_compile_definitions(cslib PRIVATE -DZMQ_NO)

    target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_ZMQ)

  endif()



  list(APPEND LAMMPS_LINK_LIBS cslib)

  include_directories(${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src)

endif()



if(PKG_MSCG)

  find_package(GSL REQUIRED)

  find_package(MSCG QUIET)

  if(MSGC_FOUND)

    set(DOWNLOAD_MSCG_DEFAULT OFF)

  else()

    set(DOWNLOAD_MSCG_DEFAULT ON)

  endif()

  option(DOWNLOAD_MSCG "Download MSCG library instead of using an already installed one)" ${DOWNLOAD_MSCG_DEFAULT})

  if(DOWNLOAD_MSCG)

    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR

      message(FATAL_ERROR "For downlading MSCG you need at least cmake-3.7")

    endif()

    include(ExternalProject)

    if(NOT LAPACK_FOUND)

      set(EXTRA_MSCG_OPTS "-DLAPACK_LIBRARIES=${CMAKE_CURRENT_BINARY_DIR}/liblinalg.a")

    endif()

    ExternalProject_Add(mscg_build

      URL https://github.com/uchicago-voth/MSCG-release/archive/1.7.3.1.tar.gz

      URL_MD5 8c45e269ee13f60b303edd7823866a91

      SOURCE_SUBDIR src/CMake

      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC} ${EXTRA_MSCG_OPTS}

      BUILD_COMMAND make mscg INSTALL_COMMAND ""

      )

    ExternalProject_get_property(mscg_build BINARY_DIR)

    set(MSCG_LIBRARIES ${BINARY_DIR}/libmscg.a)

    ExternalProject_get_property(mscg_build SOURCE_DIR)

    set(MSCG_INCLUDE_DIRS ${SOURCE_DIR}/src)

    list(APPEND LAMMPS_DEPS mscg_build)

    if(NOT LAPACK_FOUND)

      file(MAKE_DIRECTORY ${MSCG_INCLUDE_DIRS})

      add_dependencies(mscg_build linalg)

    endif()

  else()

    find_package(MSCG)

    if(NOT MSCG_FOUND)

      message(FATAL_ERROR "MSCG not found, help CMake to find it by setting MSCG_LIBRARY and MSCG_INCLUDE_DIRS, or set DOWNLOAD_MSCG=ON to download it")

    endif()

  endif()

  list(APPEND LAMMPS_LINK_LIBS ${MSCG_LIBRARIES} ${GSL_LIBRARIES} ${LAPACK_LIBRARIES})

  include_directories(${MSCG_INCLUDE_DIRS})

endif()



if(PKG_COMPRESS)

  find_package(ZLIB REQUIRED)

  include_directories(${ZLIB_INCLUDE_DIRS})

  list(APPEND LAMMPS_LINK_LIBS ${ZLIB_LIBRARIES})

endif()

include(Packages/USER-SCAFACOS)

include(Packages/USER-PLUMED)

include(Packages/USER-MOLFILE)

include(Packages/USER-NETCDF)

include(Packages/USER-SMD)

include(Packages/USER-QUIP)

include(Packages/USER-QMMM)

include(Packages/USER-VTK)

include(Packages/KIM)

include(Packages/MESSAGE)

include(Packages/MSCG)

include(Packages/COMPRESS)



# the windows version of LAMMPS requires a couple extra libraries

if(${CMAKE_SYSTEM_NAME} STREQUAL "Windows")

cmake/Modules/Packages/COMPRESS.cmake

0 → 100644
+5 −0
Original line number Diff line number Diff line 
if(PKG_COMPRESS)

  find_package(ZLIB REQUIRED)

  include_directories(${ZLIB_INCLUDE_DIRS})

  list(APPEND LAMMPS_LINK_LIBS ${ZLIB_LIBRARIES})

endif()

cmake/Modules/Packages/KIM.cmake

0 → 100644
+39 −0
Original line number Diff line number Diff line 
if(PKG_KIM)

  find_package(CURL)

  if(CURL_FOUND)

    include_directories(${CURL_INCLUDE_DIRS})

    list(APPEND LAMMPS_LINK_LIBS ${CURL_LIBRARIES})

    add_definitions(-DLMP_KIM_CURL)

  endif()

  find_package(KIM-API QUIET)

  if(KIM-API_FOUND)

    set(DOWNLOAD_KIM_DEFAULT OFF)

  else()

    set(DOWNLOAD_KIM_DEFAULT ON)

  endif()

  option(DOWNLOAD_KIM "Download KIM-API from OpenKIM instead of using an already installed one" ${DOWNLOAD_KIM_DEFAULT})

  if(DOWNLOAD_KIM)

    message(STATUS "KIM-API download requested - we will build our own")

    enable_language(C)

    enable_language(Fortran)

    include(ExternalProject)

    ExternalProject_Add(kim_build

      URL https://s3.openkim.org/kim-api/kim-api-2.0.2.txz

      URL_MD5 537d9c0abd30f85b875ebb584f9143fa

      BINARY_DIR build

      CMAKE_ARGS -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}

                 -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}

                 -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER}

                 -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR>

                 -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}

      )

    ExternalProject_get_property(kim_build INSTALL_DIR)

    set(KIM-API_INCLUDE_DIRS ${INSTALL_DIR}/include/kim-api)

    set(KIM-API_LDFLAGS ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/libkim-api${CMAKE_SHARED_LIBRARY_SUFFIX})

    list(APPEND LAMMPS_DEPS kim_build)

  else()

    find_package(KIM-API REQUIRED)

  endif()

  list(APPEND LAMMPS_LINK_LIBS "${KIM-API_LDFLAGS}")

  include_directories(${KIM-API_INCLUDE_DIRS})

endif()

cmake/Modules/Packages/LATTE.cmake

0 → 100644
+34 −0
Original line number Diff line number Diff line 
if(PKG_LATTE)

  find_package(LATTE)

  if(LATTE_FOUND)

    set(DOWNLOAD_LATTE_DEFAULT OFF)

  else()

    set(DOWNLOAD_LATTE_DEFAULT ON)

  endif()

  option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" ${DOWNLOAD_LATTE_DEFAULT})

  if(DOWNLOAD_LATTE)

    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR

      message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7")

    endif()

    message(STATUS "LATTE download requested - we will build our own")

    include(ExternalProject)

    ExternalProject_Add(latte_build

      URL https://github.com/lanl/LATTE/archive/v1.2.1.tar.gz

      URL_MD5 85ac414fdada2d04619c8f936344df14

      SOURCE_SUBDIR cmake

      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC}

      -DBLAS_LIBRARIES=${BLAS_LIBRARIES} -DLAPACK_LIBRARIES=${LAPACK_LIBRARIES}

      -DCMAKE_Fortran_COMPILER=${CMAKE_Fortran_COMPILER} -DCMAKE_Fortran_FLAGS=${CMAKE_Fortran_FLAGS}

      -DCMAKE_Fortran_FLAGS_${BTYPE}=${CMAKE_Fortran_FLAGS_${BTYPE}} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}

    )

    ExternalProject_get_property(latte_build INSTALL_DIR)

    set(LATTE_LIBRARIES ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/liblatte.a)

    list(APPEND LAMMPS_DEPS latte_build)

  else()

    find_package(LATTE)

    if(NOT LATTE_FOUND)

      message(FATAL_ERROR "LATTE library not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it")

    endif()

  endif()

  list(APPEND LAMMPS_LINK_LIBS ${LATTE_LIBRARIES} ${LAPACK_LIBRARIES})

endif()

cmake/Modules/Packages/MESSAGE.cmake

0 → 100644
+29 −0
Original line number Diff line number Diff line 
if(PKG_MESSAGE)

  option(MESSAGE_ZMQ "Use ZeroMQ in MESSAGE package" OFF)

  file(GLOB_RECURSE cslib_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.F

      ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.c

      ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.cpp)



  add_library(cslib STATIC ${cslib_SOURCES})

  if(BUILD_MPI)

    target_compile_definitions(cslib PRIVATE -DMPI_YES)

    set_target_properties(cslib PROPERTIES OUTPUT_NAME "csmpi")

  else()

    target_compile_definitions(cslib PRIVATE -DMPI_NO)

    target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_MPI)

    set_target_properties(cslib PROPERTIES OUTPUT_NAME "csnompi")

  endif()



  if(MESSAGE_ZMQ)

    target_compile_definitions(cslib PRIVATE -DZMQ_YES)

    find_package(ZMQ REQUIRED)

    target_include_directories(cslib PRIVATE ${ZMQ_INCLUDE_DIRS})

    target_link_libraries(cslib PUBLIC ${ZMQ_LIBRARIES})

  else()

    target_compile_definitions(cslib PRIVATE -DZMQ_NO)

    target_include_directories(cslib PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src/STUBS_ZMQ)

  endif()



  list(APPEND LAMMPS_LINK_LIBS cslib)

  include_directories(${LAMMPS_LIB_SOURCE_DIR}/message/cslib/src)

endif()

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