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_BINARY_SUFFIX}")
  43
  44 if(GMX_OPENMM)
  45     add_subdirectory(gmx_gpu_utils)
  46     include_directories(./gmx_gpu_utils ${OpenMM_INCLUDE_DIR})
  47     link_directories(${OpenMM_LIBRARY_DIR})
  48     # only define if this is a local build not a release
  49     # we assume that the auto-generated version is not used &&
  50     # version string does not contain "-dev" => it's a release build
  51     if(NOT USE_VERSION_H AND NOT PROJECT_VERSION MATCHES ".*-dev.*")
  52         add_definitions( -DOPENMM_PLUGIN_DIR="${OpenMM_PLUGIN_DIR}" )
  53     else()
  54         add_definitions( -DOPENMM_PLUGIN_DIR="" )
  55     endif()
  56     add_library(openmm_api_wrapper openmm_wrapper.cpp)
  57 #    remove_definitions( -DOPENMM_PLUGIN_DIR="${OpenMM_PLUGIN_DIR}" )  # TODO where should this go?!
  58     set(GMX_OPENMM_LIBRARIES openmm_api_wrapper gmx_gpu_utils OpenMM)
  59 endif(GMX_OPENMM)
  60
  61 if(GMX_FAHCORE)
  62   add_library(fahcore ${MDRUN_SOURCES})
  63 else(GMX_FAHCORE)
  64
  65 list(APPEND GMX_EXTRA_LIBRARIES gmxpreprocess md)
  66
  67 add_executable(grompp grompp.c)
  68 target_link_libraries(grompp ${GMX_EXTRA_LIBRARIES})
  69 set_target_properties(grompp PROPERTIES OUTPUT_NAME "grompp${GMX_BINARY_SUFFIX}")
  70
  71 add_executable(tpbconv tpbconv.c)
  72 target_link_libraries(tpbconv ${GMX_EXTRA_LIBRARIES})
  73 set_target_properties(tpbconv PROPERTIES OUTPUT_NAME "tpbconv${GMX_BINARY_SUFFIX}")
  74
  75 add_executable(pdb2gmx pdb2gmx.c)
  76 target_link_libraries(pdb2gmx ${GMX_EXTRA_LIBRARIES})
  77 set_target_properties(pdb2gmx PROPERTIES OUTPUT_NAME "pdb2gmx${GMX_BINARY_SUFFIX}")
  78
  79 add_executable(g_protonate g_protonate.c)
  80 target_link_libraries(g_protonate ${GMX_EXTRA_LIBRARIES})
  81 set_target_properties(g_protonate PROPERTIES OUTPUT_NAME "g_protonate${GMX_BINARY_SUFFIX}")
  82
  83 add_executable(g_luck g_luck.c)
  84 target_link_libraries(g_luck ${GMX_EXTRA_LIBRARIES})
  85 set_target_properties(g_luck PROPERTIES OUTPUT_NAME "g_luck${GMX_BINARY_SUFFIX}")
  86
  87 add_executable(gmxdump gmxdump.c)
  88 target_link_libraries(gmxdump ${GMX_EXTRA_LIBRARIES})
  89 set_target_properties(gmxdump PROPERTIES OUTPUT_NAME "gmxdump${GMX_BINARY_SUFFIX}")
  90
  91 add_executable(g_x2top g_x2top.c)
  92 target_link_libraries(g_x2top ${GMX_EXTRA_LIBRARIES})
  93 set_target_properties(g_x2top PROPERTIES OUTPUT_NAME "g_x2top${GMX_BINARY_SUFFIX}")
  94
  95 add_executable(gmxcheck gmxcheck.c)
  96 target_link_libraries(gmxcheck ${GMX_EXTRA_LIBRARIES})
  97 set_target_properties(gmxcheck PROPERTIES OUTPUT_NAME "gmxcheck${GMX_BINARY_SUFFIX}")
  98
  99 add_executable(mdrun ${MDRUN_SOURCES})
 100 target_link_libraries(mdrun ${GMX_EXTRA_LIBRARIES} ${GMX_OPENMM_LIBRARIES})
 101 # set binary name to mdrun-gpu
 102 if(GMX_OPENMM)
 103     set(_mdrun_exec_name "mdrun-gpu")
 104 else()
 105     set(_mdrun_exec_name "mdrun${GMX_BINARY_SUFFIX}")
 106 endif()
 107 set_target_properties(mdrun PROPERTIES OUTPUT_NAME "${_mdrun_exec_name}")
 108
 109 # this is to circumvent the following MSVC error:
 110 # warning LNK4098: defaultlib 'LIBCMT' conflicts with use of other libs
 111 # fatal error LNK1169: one or more multiply defined symbols found
 112 if(GMX_OPENMM AND MSVC)
 113     set_target_properties(mdrun PROPERTIES LINK_FLAGS "/NODEFAULTLIB:LIBCMT")
 114 endif()
 115
 116
 117 install(TARGETS
 118         grompp
 119         tpbconv
 120         pdb2gmx
 121         g_protonate
 122         g_luck
 123         gmxdump
 124         g_x2top
 125         gmxcheck
 126         mdrun
 127         gmxpreprocess DESTINATION ${LIB_INSTALL_DIR}
 128         RUNTIME DESTINATION ${BIN_INSTALL_DIR})
 129
 130
 131 get_target_property(MDRUN_PATH mdrun LOCATION)
 132 add_custom_target(install-mdrun
 133         COMMAND ${CMAKE_COMMAND} -E copy "${MDRUN_PATH}"
 134             "${CMAKE_INSTALL_PREFIX}/bin/${_mdrun_exec_name}"
 135         DEPENDS mdrun
 136         COMMENT "Installing mdrun")
 137
 138 endif(GMX_FAHCORE)
 139