src/kernel/CMakeLists.txt

   1
   2 set(GMXPREPROCESS_SOURCES
   3     add_par.c
   4     calc_verletbuf.c
   5     compute_io.c
   6     convparm.c
   7     gen_ad.c
   8     gen_vsite.c
   9     genhydro.c
  10     gpp_atomtype.c
  11     gpp_bond_atomtype.c
  12     h_db.c
  13     hackblock.c
  14     hizzie.c
  15     nm2type.c
  16     pdb2top.c
  17     pgutil.c
  18     readir.c
  19     readpull.c
  20     readadress.c
  21     readrot.c
  22     resall.c
  23     sorting.c
  24     specbond.c
  25     ter_db.c
  26     tomorse.c
  27     topdirs.c
  28     topexcl.c
  29     topio.c
  30     toppush.c
  31     topshake.c
  32     toputil.c
  33     tpbcmp.c
  34     vsite_parm.c
  35     fflibutil.c
  36     xlate.c)
  37
  38 set(MDRUN_SOURCES
  39     gctio.c    ionize.c runner.c
  40     do_gct.c     repl_ex.c  xutils.c pme_loadbal.c
  41     md.c         mdrun.c    genalg.c membed.c
  42     md_openmm.c)
  43
  44 add_library(gmxpreprocess ${GMXPREPROCESS_SOURCES})
  45 target_link_libraries(gmxpreprocess md)
  46 set_target_properties(gmxpreprocess PROPERTIES OUTPUT_NAME "gmxpreprocess${GMX_LIBS_SUFFIX}" SOVERSION ${SOVERSION} INSTALL_NAME_DIR "${LIB_INSTALL_DIR}"
  47     COMPILE_FLAGS "${OpenMP_C_FLAGS}")
  48
  49
  50 if(GMX_GPU OR GMX_OPENMM)
  51     include_directories(${CMAKE_SOURCE_DIR}/src/gmxlib/gpu_utils)
  52 endif()
  53
  54 if(GMX_OPENMM)
  55     include_directories(${OpenMM_INCLUDE_DIR})
  56     link_directories(${OpenMM_LIBRARY_DIR})
  57     # with this define no evn.var. is needed with OPENMM_PLUGIN_DIR
  58     # if the same OpenMM installation is used for running and building
  59     add_definitions( -DOPENMM_PLUGIN_DIR="${OpenMM_PLUGIN_DIR}" )
  60     file(TO_CMAKE_PATH ${OpenMM_PLUGIN_DIR} _path)
  61     add_library(openmm_api_wrapper STATIC openmm_wrapper.cpp)
  62     target_link_libraries(openmm_api_wrapper ${OpenMM_LIBRARIES})
  63     set(GMX_OPENMM_LIBRARIES openmm_api_wrapper ${OpenMM_LIBRARIES})
  64 endif(GMX_OPENMM)
  65
  66 if(GMX_GPU OR GMX_OPENMM OR GMX_FORCE_CXX)
  67     set_source_files_properties(main.c PROPERTIES LANGUAGE CXX)
  68     if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang")
  69         set_source_files_properties(main.c PROPERTIES COMPILE_FLAGS "-x c++")
  70     endif()
  71 endif()
  72
  73 if(GMX_FAHCORE)
  74   add_library(fahcore ${MDRUN_SOURCES})
  75 else(GMX_FAHCORE)
  76
  77 list(APPEND GMX_EXTRA_LIBRARIES gmxpreprocess md ${OpenMP_LINKER_FLAGS})
  78
  79 set(GMX_KERNEL_PROGRAMS
  80     grompp tpbconv pdb2gmx g_protonate g_luck gmxdump g_x2top gmxcheck)
  81
  82 foreach(PROGRAM ${GMX_KERNEL_PROGRAMS})
  83     add_executable(${PROGRAM} ${PROGRAM}.c main.c)
  84     if (NOT ${PROGRAM} STREQUAL "g_luck")
  85         gmx_add_man_page(${PROGRAM})
  86     endif()
  87     target_link_libraries(${PROGRAM} ${GMX_EXTRA_LIBRARIES})
  88     set_target_properties(${PROGRAM} PROPERTIES OUTPUT_NAME "${PROGRAM}${GMX_BINARY_SUFFIX}")
  89 endforeach()
  90
  91 add_executable(mdrun ${MDRUN_SOURCES} main.c)
  92 gmx_add_man_page(mdrun)
  93 target_link_libraries(mdrun ${GMX_EXTRA_LIBRARIES} ${GMX_OPENMM_LIBRARIES})
  94 set_target_properties(mdrun PROPERTIES OUTPUT_NAME "mdrun${GMX_BINARY_SUFFIX}" COMPILE_FLAGS "${OpenMP_C_FLAGS}")
  95
  96 # this is to circumvent the following MSVC error:
  97 # warning LNK4098: defaultlib 'LIBCMT' conflicts with use of other libs
  98 # fatal error LNK1169: one or more multiply defined symbols found
  99 if(GMX_OPENMM AND MSVC)
 100     set_target_properties(mdrun PROPERTIES LINK_FLAGS "/NODEFAULTLIB:LIBCMT")
 101 endif()
 102
 103 # Construct component groups for installation; note that a component may
 104 # belong to only one group
 105 foreach(PROGRAM ${GMX_KERNEL_PROGRAMS})
 106     set(CPACK_COMPONENT_${PROGRAM}_GROUP tools)
 107 endforeach()
 108 set(CPACK_COMPONENT_MDRUN_GROUP mdrun)
 109
 110 foreach(PROGRAM ${GMX_KERNEL_PROGRAMS} mdrun)
 111     # Manage CPack component dependencies
 112     set(CPACK_COMPONENT_${PROGRAM}_DEPENDS libraries libraries-gmxpreprocess)
 113
 114     # Create custom install-xxxx target
 115     if (BUILD_SHARED_LIBS)
 116     # If shared libraries are used, we need to install the libraries in
 117     # addition to the mdrun binary.
 118        add_custom_target(install-${PROGRAM}
 119            COMMAND ${CMAKE_COMMAND} -DCOMPONENT=libraries
 120                    -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
 121            COMMAND ${CMAKE_COMMAND} -DCOMPONENT=libraries-gmxpreprocess
 122                    -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
 123            COMMAND ${CMAKE_COMMAND} -DCOMPONENT=${PROGRAM}
 124                    -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
 125            COMMENT "Installing ${PROGRAM}")
 126     else()
 127        add_custom_target(install-${PROGRAM}
 128            COMMAND ${CMAKE_COMMAND} -DCOMPONENT=${PROGRAM}
 129                    -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
 130            COMMENT "Installing ${PROGRAM}")
 131     endif()
 132     add_dependencies(install-${PROGRAM} ${PROGRAM})
 133
 134     # Finally, trigger installation
 135     install(
 136       TARGETS ${PROGRAM}
 137       COMPONENT ${PROGRAM}
 138       DESTINATION ${BIN_INSTALL_DIR}
 139       )
 140 endforeach()
 141
 142 install(TARGETS gmxpreprocess DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries-gmxpreprocess)
 143
 144 if (INSTALL_CUDART_LIB) #can be set manual by user
 145     if (GMX_OPENMM OR GMX_GPU)
 146         foreach(CUDA_LIB ${CUDA_LIBRARIES})
 147             string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
 148             if(IS_CUDART) #libcuda should not be installed
 149                 #install also name-links (linker uses those)
 150                 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
 151                 install(FILES ${CUDA_LIBS} DESTINATION
 152                     ${LIB_INSTALL_DIR} COMPONENT libraries)
 153             endif()
 154         endforeach()
 155     else()
 156         message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_OPENMM or GMX_GPU")
 157     endif()
 158 endif ()
 159 endif(GMX_FAHCORE)
 160
 161 configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgmxpreprocess.pc.cmakein ${CMAKE_CURRENT_BINARY_DIR}/libgmxpreprocess.pc @ONLY)
 162 install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgmxpreprocess.pc
 163         DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
 164         RENAME "libgmxpreprocess${GMX_LIBS_SUFFIX}.pc"
 165         COMPONENT development)