src/kernel/CMakeLists.txt

   1
   2 set(GMXPREPROCESS_SOURCES
   3     add_par.c
   4     compute_io.c
   5     convparm.c
   6     gen_ad.c
   7     gen_vsite.c
   8     genhydro.c
   9     gpp_atomtype.c
  10     gpp_bond_atomtype.c
  11     h_db.c
  12     hackblock.c
  13     hizzie.c
  14     nm2type.c
  15     pdb2top.c
  16     pgutil.c
  17     readir.c
  18     readpull.c
  19     resall.c
  20     sorting.c
  21     specbond.c
  22     ter_db.c
  23     tomorse.c
  24     topdirs.c
  25     topexcl.c
  26     topio.c
  27     toppush.c
  28     topshake.c
  29     toputil.c
  30     tpbcmp.c
  31     vsite_parm.c
  32     fflibutil.c
  33     xlate.c)
  34
  35 set(MDRUN_SOURCES
  36     gctio.c    ionize.c runner.c
  37     do_gct.c     repl_ex.c  xutils.c
  38     md.c         mdrun.c    genalg.c md_openmm.c)
  39
  40 add_library(gmxpreprocess ${GMXPREPROCESS_SOURCES})
  41 target_link_libraries(gmxpreprocess md)
  42 set_target_properties(gmxpreprocess PROPERTIES OUTPUT_NAME "gmxpreprocess${GMX_LIBS_SUFFIX}" SOVERSION ${SOVERSION} INSTALL_NAME_DIR "${LIB_INSTALL_DIR}")
  43
  44
  45 if(GMX_OPENMM)
  46     add_subdirectory(gmx_gpu_utils)
  47     include_directories(./gmx_gpu_utils ${OpenMM_INCLUDE_DIR})
  48     link_directories(${OpenMM_LIBRARY_DIR})
  49     # with this define no evn.var. is needed with OPENMM_PLUGIN_DIR
  50     # if the same OpenMM installation is used for running and building
  51     add_definitions( -DOPENMM_PLUGIN_DIR="${OpenMM_PLUGIN_DIR}" )
  52     file(TO_CMAKE_PATH ${OpenMM_PLUGIN_DIR} _path)
  53     add_library(openmm_api_wrapper STATIC openmm_wrapper.cpp)
  54     target_link_libraries(openmm_api_wrapper gmx_gpu_utils ${OpenMM_LIBRARIES})
  55     set(GMX_OPENMM_LIBRARIES openmm_api_wrapper gmx_gpu_utils ${OpenMM_LIBRARIES})
  56 endif(GMX_OPENMM)
  57
  58 if(GMX_FAHCORE)
  59   add_library(fahcore ${MDRUN_SOURCES})
  60 else(GMX_FAHCORE)
  61
  62 list(APPEND GMX_EXTRA_LIBRARIES gmxpreprocess md)
  63
  64 add_executable(grompp grompp.c)
  65 target_link_libraries(grompp ${GMX_EXTRA_LIBRARIES})
  66 set_target_properties(grompp PROPERTIES OUTPUT_NAME "grompp${GMX_BINARY_SUFFIX}")
  67
  68 add_executable(tpbconv tpbconv.c)
  69 target_link_libraries(tpbconv ${GMX_EXTRA_LIBRARIES})
  70 set_target_properties(tpbconv PROPERTIES OUTPUT_NAME "tpbconv${GMX_BINARY_SUFFIX}")
  71
  72 add_executable(pdb2gmx pdb2gmx.c)
  73 target_link_libraries(pdb2gmx ${GMX_EXTRA_LIBRARIES})
  74 set_target_properties(pdb2gmx PROPERTIES OUTPUT_NAME "pdb2gmx${GMX_BINARY_SUFFIX}")
  75
  76 add_executable(g_protonate g_protonate.c)
  77 target_link_libraries(g_protonate ${GMX_EXTRA_LIBRARIES})
  78 set_target_properties(g_protonate PROPERTIES OUTPUT_NAME "g_protonate${GMX_BINARY_SUFFIX}")
  79
  80 add_executable(g_luck g_luck.c)
  81 target_link_libraries(g_luck ${GMX_EXTRA_LIBRARIES})
  82 set_target_properties(g_luck PROPERTIES OUTPUT_NAME "g_luck${GMX_BINARY_SUFFIX}")
  83
  84 add_executable(gmxdump gmxdump.c)
  85 target_link_libraries(gmxdump ${GMX_EXTRA_LIBRARIES})
  86 set_target_properties(gmxdump PROPERTIES OUTPUT_NAME "gmxdump${GMX_BINARY_SUFFIX}")
  87
  88 add_executable(g_x2top g_x2top.c)
  89 target_link_libraries(g_x2top ${GMX_EXTRA_LIBRARIES})
  90 set_target_properties(g_x2top PROPERTIES OUTPUT_NAME "g_x2top${GMX_BINARY_SUFFIX}")
  91
  92 add_executable(gmxcheck gmxcheck.c)
  93 target_link_libraries(gmxcheck ${GMX_EXTRA_LIBRARIES})
  94 set_target_properties(gmxcheck PROPERTIES OUTPUT_NAME "gmxcheck${GMX_BINARY_SUFFIX}")
  95
  96 add_executable(mdrun ${MDRUN_SOURCES})
  97 target_link_libraries(mdrun ${GMX_EXTRA_LIBRARIES} ${GMX_OPENMM_LIBRARIES})
  98 set_target_properties(mdrun PROPERTIES OUTPUT_NAME "mdrun${GMX_BINARY_SUFFIX}")
  99
 100 # this is to circumvent the following MSVC error:
 101 # warning LNK4098: defaultlib 'LIBCMT' conflicts with use of other libs
 102 # fatal error LNK1169: one or more multiply defined symbols found
 103 if(GMX_OPENMM AND MSVC)
 104     set_target_properties(mdrun PROPERTIES LINK_FLAGS "/NODEFAULTLIB:LIBCMT")
 105 endif()
 106
 107
 108 install(TARGETS gmxpreprocess DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries)
 109 install(TARGETS mdrun DESTINATION ${BIN_INSTALL_DIR} COMPONENT mdrun)
 110 install(TARGETS
 111         grompp
 112         tpbconv
 113         pdb2gmx
 114         g_protonate
 115         g_luck
 116         gmxdump
 117         g_x2top
 118         gmxcheck
 119         COMPONENT runtime
 120         RUNTIME DESTINATION ${BIN_INSTALL_DIR})
 121
 122 # Create the custom install-mdrun target
 123 if (BUILD_SHARED_LIBS)
 124     # If shared libraries are used, we need to install the libraries in
 125     # addition to the mdrun binary.
 126     add_custom_target(install-mdrun
 127         COMMAND ${CMAKE_COMMAND} -DCOMPONENT=libraries
 128                 -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
 129         COMMAND ${CMAKE_COMMAND} -DCOMPONENT=mdrun
 130                 -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
 131         COMMENT "Installing mdrun")
 132 else (BUILD_SHARED_LIBS)
 133     add_custom_target(install-mdrun
 134         COMMAND ${CMAKE_COMMAND} -DCOMPONENT=mdrun
 135                 -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
 136         COMMENT "Installing mdrun")
 137 endif (BUILD_SHARED_LIBS)
 138 add_dependencies(install-mdrun mdrun)
 139
 140 endif(GMX_FAHCORE)
 141
 142 configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgmxpreprocess.pc.cmakein ${CMAKE_CURRENT_BINARY_DIR}/libgmxpreprocess.pc @ONLY)
 143 install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgmxpreprocess.pc
 144         DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
 145         RENAME "libgmxpreprocess${GMX_LIBS_SUFFIX}.pc"
 146         COMPONENT development)