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