Commit c50258e8 authored by Christoph Junghans's avatar Christoph Junghans
Browse files

cmake: ENABLE -> PKG for packages

parent 66caf1c1

cmake/CMakeLists.txt

+36 −36
Original line number Diff line number Diff line
@@ -119,14 +119,14 @@ set(OTHER_PACKAGES KIM PYTHON MSCG MPIIO VORONOI POEMS LATTE 
  USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM)

set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)

foreach(PKG ${DEFAULT_PACKAGES})

  option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})

  option(PKG_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})

endforeach()

foreach(PKG ${ACCEL_PACKAGES} ${OTHER_PACKAGES})

  option(ENABLE_${PKG} "Build ${PKG} Package" OFF)

  option(PKG_${PKG} "Build ${PKG} Package" OFF)

endforeach()



macro(pkg_depends PKG1 PKG2)

  if(ENABLE_${PKG1} AND NOT ENABLE_${PKG2})

  if(PKG_${PKG1} AND NOT PKG_${PKG2})

    message(FATAL_ERROR "${PKG1} package needs LAMMPS to be build with ${PKG2}")

  endif()

endmacro()
@@ -142,15 +142,15 @@ pkg_depends(USER-PHONON KSPACE) 
######################################################

# packages with special compiler needs or external libs

######################################################

if(ENABLE_REAX OR ENABLE_MEAM OR ENABLE_USER-QUIP OR ENABLE_USER-QMMM OR ENABLE_LATTE)

if(PKG_REAX OR PKG_MEAM OR PKG_USER-QUIP OR PKG_USER-QMMM OR PKG_LATTE)

  enable_language(Fortran)

endif()



if(ENABLE_MEAM)

if(PKG_MEAM)

  enable_language(C)

endif()



if(ENABLE_KOKKOS OR ENABLE_MSCG)

if(PKG_KOKKOS OR PKG_MSCG)

  # starting with CMake 3.1 this is all you have to do to enforce C++11

  set(CMAKE_CXX_STANDARD 11) # C++11...

  set(CMAKE_CXX_STANDARD_REQUIRED ON) #...is required...
@@ -159,13 +159,13 @@ endif() 


find_package(OpenMP QUIET)

option(BUILD_OMP "Build with OpenMP support" ${OpenMP_FOUND})

if(BUILD_OMP OR ENABLE_USER-OMP OR ENABLE_KOKKOS OR ENABLE_USER-INTEL)

if(BUILD_OMP OR PKG_USER-OMP OR PKG_KOKKOS OR PKG_USER-INTEL)

  find_package(OpenMP REQUIRED)

  set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")

  set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")

endif()



if(ENABLE_KSPACE)

if(PKG_KSPACE)

  option(FFT_SINGLE "Use single precision FFT instead of double" OFF)

  set(FFTW "FFTW3")

  if(FFT_SINGLE)
@@ -196,7 +196,7 @@ if(ENABLE_KSPACE) 
  endif()

endif()



if(ENABLE_MSCG OR ENABLE_USER-ATC OR ENABLE_USER-AWPMD OR ENABLE_USER-QUIP OR ENABLE_LATTE)

if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)

  find_package(LAPACK)

  if(NOT LAPACK_FOUND)

    enable_language(Fortran)
@@ -206,7 +206,7 @@ if(ENABLE_MSCG OR ENABLE_USER-ATC OR ENABLE_USER-AWPMD OR ENABLE_USER-QUIP OR EN 
  endif()

endif()



if(ENABLE_PYTHON)

if(PKG_PYTHON)

  find_package(PythonInterp REQUIRED)

  find_package(PythonLibs REQUIRED)

  add_definitions(-DLMP_PYTHON)
@@ -223,8 +223,8 @@ if(ENABLE_PYTHON) 
endif()



find_package(JPEG QUIET)

option(ENABLE_JPEG "Enable JPEG support" ${JPEG_FOUND})

if(ENABLE_JPEG)

option(WITH_JPEG "Enable JPEG support" ${JPEG_FOUND})

if(WITH_JPEG)

  find_package(JPEG REQUIRED)

  add_definitions(-DLAMMPS_JPEG)

  include_directories(${JPEG_INCLUDE_DIR})
@@ -266,7 +266,7 @@ if(WITH_FFMPEG) 
  add_definitions(-DLAMMPS_FFMPEG)

endif()



if(ENABLE_VORONOI)

if(PKG_VORONOI)

  option(DOWNLOAD_VORO "Download voro++ (instead of using the system's one)" OFF)

  if(DOWNLOAD_VORO)

    include(ExternalProject)
@@ -289,7 +289,7 @@ if(ENABLE_VORONOI) 
  list(APPEND LAMMPS_LINK_LIBS ${VORO_LIBRARIES})

endif()



if(ENABLE_LATTE)

if(PKG_LATTE)

  option(DOWNLOAD_LATTE "Download latte (instead of using the system's one)" OFF)

  if(DOWNLOAD_LATTE)

    message(STATUS "LATTE not found - we will build our own")
@@ -312,21 +312,21 @@ if(ENABLE_LATTE) 
  list(APPEND LAMMPS_LINK_LIBS ${LATTE_LIBRARIES} ${LAPACK_LIBRARIES} ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})

endif()



if(ENABLE_USER-MOLFILE)

if(PKG_USER-MOLFILE)

  add_library(molfile INTERFACE)

  target_include_directories(molfile INTERFACE ${LAMMPS_LIB_SOURCE_DIR}/molfile)

  target_link_libraries(molfile INTERFACE ${CMAKE_DL_LIBS})

  list(APPEND LAMMPS_LINK_LIBS molfile)

endif()



if(ENABLE_USER-NETCDF)

if(PKG_USER-NETCDF)

  find_package(NetCDF REQUIRED)

  include_directories(NETCDF_INCLUDE_DIR)

  list(APPEND LAMMPS_LINK_LIBS ${NETCDF_LIBRARY})

  add_definitions(-DLMP_HAS_NETCDF -DNC_64BIT_DATA=0x0020)

endif()



if(ENABLE_USER-SMD)

if(PKG_USER-SMD)

  option(DOWNLOAD_Eigen3 "Download Eigen3 (instead of using the system's one)" OFF)

  if(DOWNLOAD_Eigen3)

    include(ExternalProject)
@@ -350,26 +350,26 @@ if(ENABLE_USER-SMD) 
  include_directories(${EIGEN3_INCLUDE_DIR})

endif()



if(ENABLE_USER-QUIP)

if(PKG_USER-QUIP)

  find_package(QUIP REQUIRED)

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

endif()



if(ENABLE_USER-QMMM)

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} ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})

endif()



if(ENABLE_USER-VTK)

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(ENABLE_KIM)

if(PKG_KIM)

  find_package(KIM QUIET)

  if(NOT KIM_FOUND)

    message(STATUS "KIM not found - we will build our own")
@@ -389,7 +389,7 @@ if(ENABLE_KIM) 
  include_directories(${KIM_INCLUDE_DIRS})

endif()



if(ENABLE_MSCG)

if(PKG_MSCG)

  find_package(GSL REQUIRED)

  set(LAMMPS_LIB_MSCG_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/mscg)

  set(MSCG_TARBALL ${LAMMPS_LIB_MSCG_BIN_DIR}/MS-CG-master.zip)
@@ -413,7 +413,7 @@ if(ENABLE_MSCG) 
  target_link_libraries(mscg ${GSL_LIBRARIES} ${LAPACK_LIBRARIES})

endif()



if(ENABLE_COMPRESS)

if(PKG_COMPRESS)

  find_package(ZLIB REQUIRED)

  include_directories(${ZLIB_INCLUDE_DIRS})

  list(APPEND LAMMPS_LINK_LIBS ${ZLIB_LIBRARIES})
@@ -468,7 +468,7 @@ foreach(PKG ${DEFAULT_PACKAGES} ${OTHER_PACKAGES}) 
      DetectAndRemovePackageHeader(${LAMMPS_SOURCE_DIR}/${FNAME})

  endforeach()



  if(ENABLE_${PKG})

  if(PKG_${PKG})

    # detects styles in package and adds them to global list

    RegisterStyles(${${PKG}_SOURCES_DIR})
@@ -482,7 +482,7 @@ endforeach() 
############################################

foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD USER-COLVARS USER-H5MD

  USER-QMMM)

  if(ENABLE_${SIMPLE_LIB})

  if(PKG_${SIMPLE_LIB})

    string(REGEX REPLACE "^USER-" "" PKG_LIB "${SIMPLE_LIB}")

    string(TOLOWER "${PKG_LIB}" PKG_LIB)

    file(GLOB_RECURSE ${PKG_LIB}_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}/*.F
@@ -503,15 +503,15 @@ foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD USER-COLVARS USER-H5MD 
  endif()

endforeach()



if(ENABLE_USER-AWPMD)

if(PKG_USER-AWPMD)

  target_link_libraries(awpmd ${LAPACK_LIBRARIES})

endif()



if(ENABLE_USER-ATC)

if(PKG_USER-ATC)

  target_link_libraries(atc ${LAPACK_LIBRARIES})

endif()



if(ENABLE_USER-H5MD)

if(PKG_USER-H5MD)

  find_package(HDF5 REQUIRED)

  target_link_libraries(h5md ${HDF5_LIBRARIES})

  target_include_directories(h5md PRIVATE ${HDF5_INCLUDE_DIRS})
@@ -522,7 +522,7 @@ endif() 
# packages which selectively include variants based on enabled styles

# e.g. accelerator packages

######################################################################

if(ENABLE_USER-OMP)

if(PKG_USER-OMP)

    set(USER-OMP_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-OMP)

    set(USER-OMP_SOURCES ${USER-OMP_SOURCES_DIR}/thr_data.cpp

                         ${USER-OMP_SOURCES_DIR}/thr_omp.cpp
@@ -539,7 +539,7 @@ if(ENABLE_USER-OMP) 
    include_directories(${USER-OMP_SOURCES_DIR})

endif()



if(ENABLE_KOKKOS)

if(PKG_KOKKOS)

  set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)

  set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)

  add_definitions(-DLMP_KOKKOS)
@@ -575,7 +575,7 @@ if(ENABLE_KOKKOS) 
  RegisterNBinStyle(${KOKKOS_PKG_SOURCES_DIR}/nbin_kokkos.h)

  RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_kokkos.h)



  if(ENABLE_USER-DPD)

  if(PKG_USER-DPD)

    get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)

    list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.cpp)

    RegisterNPairStyle(${KOKKOS_PKG_SOURCES_DIR}/npair_ssa_kokkos.h)
@@ -588,7 +588,7 @@ if(ENABLE_KOKKOS) 
  include_directories(${KOKKOS_PKG_SOURCES_DIR})

endif()



if(ENABLE_OPT)

if(PKG_OPT)

    set(OPT_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/OPT)

    set(OPT_SOURCES)

    set_property(GLOBAL PROPERTY "OPT_SOURCES" "${OPT_SOURCES}")
@@ -602,7 +602,7 @@ if(ENABLE_OPT) 
    include_directories(${OPT_SOURCES_DIR})

endif()



if(ENABLE_USER-INTEL)

if(PKG_USER-INTEL)

    set(USER-INTEL_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-INTEL)

    set(USER-INTEL_SOURCES ${USER-INTEL_SOURCES_DIR}/intel_preprocess.h

                           ${USER-INTEL_SOURCES_DIR}/intel_buffers.h
@@ -626,7 +626,7 @@ if(ENABLE_USER-INTEL) 
    include_directories(${USER-INTEL_SOURCES_DIR})

endif()



if(ENABLE_GPU)

if(PKG_GPU)

    set(GPU_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/GPU)

    set(GPU_SOURCES ${GPU_SOURCES_DIR}/gpu_extra.h

                    ${GPU_SOURCES_DIR}/fix_gpu.h
@@ -789,7 +789,7 @@ endif() 
# Print package summary

##################################

foreach(PKG ${DEFAULT_PACKAGES} ${OTHER_PACKAGES} ${ACCEL_PACKAGES})

  if(ENABLE_${PKG})

  if(PKG_${PKG})

    message(STATUS "Building package: ${PKG}")

  endif()

endforeach()
@@ -843,6 +843,6 @@ if(ENABLED_GPU) 
    message(STATUS "OCL Tune: ${OCL_TUNE}")

  endif()

endif()

if(ENABLE_KSPACE)

if(PKG_KSPACE)

	message(STATUS "Using ${FFT} as FFT")

endif()

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