2 set(GMXPREPROCESS_SOURCES
35 gctio.c ionize.c runner.c
36 do_gct.c repl_ex.c xutils.c
37 md.c mdrun.c genalg.c md_openmm.c)
39 add_library(gmxpreprocess ${GMXPREPROCESS_SOURCES})
40 target_link_libraries(gmxpreprocess md)
43 add_subdirectory(gmx_gpu_utils)
44 include_directories(./gmx_gpu_utils ${OpenMM_INCLUDE_DIR})
45 link_directories(${OpenMM_LIBRARY_DIR})
46 add_definitions( -DOPENMM_PLUGIN_DIR="${OpenMM_PLUGIN_DIR}" )
47 add_library(openmm_api_wrapper openmm_wrapper.cpp)
48 # remove_definitions( -DOPENMM_PLUGIN_DIR="${OpenMM_PLUGIN_DIR}" ) # TODO where should this go?!
49 set(GMX_OPENMM_LIBRARIES openmm_api_wrapper gmx_gpu_utils OpenMM)
50 install(TARGETS openmm_api_wrapper gmx_gpu_utils DESTINATION ${LIB_INSTALL_DIR})
54 add_library(fahcore ${MDRUN_SOURCES})
57 list(APPEND GMX_EXTRA_LIBRARIES gmxpreprocess md)
59 add_executable(grompp grompp.c)
60 target_link_libraries(grompp ${GMX_EXTRA_LIBRARIES})
62 add_executable(tpbconv tpbconv.c)
63 target_link_libraries(tpbconv ${GMX_EXTRA_LIBRARIES})
65 add_executable(pdb2gmx pdb2gmx.c)
66 target_link_libraries(pdb2gmx ${GMX_EXTRA_LIBRARIES})
68 add_executable(protonate protonate.c)
69 target_link_libraries(protonate ${GMX_EXTRA_LIBRARIES})
71 add_executable(luck luck.c)
72 target_link_libraries(luck ${GMX_EXTRA_LIBRARIES})
74 add_executable(gmxdump gmxdump.c)
75 target_link_libraries(gmxdump ${GMX_EXTRA_LIBRARIES})
77 add_executable(x2top x2top.c)
78 target_link_libraries(x2top ${GMX_EXTRA_LIBRARIES})
80 add_executable(gmxcheck gmxcheck.c)
81 target_link_libraries(gmxcheck ${GMX_EXTRA_LIBRARIES})
83 add_executable(mdrun ${MDRUN_SOURCES})
84 target_link_libraries(mdrun ${GMX_EXTRA_LIBRARIES} ${GMX_OPENMM_LIBRARIES})
96 gmxpreprocess DESTINATION ${LIB_INSTALL_DIR}
97 RUNTIME DESTINATION ${BIN_INSTALL_DIR})