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