set(GMXPREPROCESS_SOURCES
add_par.c
+ calc_verletbuf.c
compute_io.c
convparm.c
gen_ad.c
set(MDRUN_SOURCES
gctio.c ionize.c runner.c
- do_gct.c repl_ex.c xutils.c
+ do_gct.c repl_ex.c xutils.c pme_switch.c
md.c mdrun.c genalg.c membed.c
md_openmm.c)
COMPILE_FLAGS "${OpenMP_C_FLAGS}")
+if(GMX_GPU OR GMX_OPENMM)
+ include_directories(${CMAKE_SOURCE_DIR}/src/gmxlib/gpu_utils)
+endif()
+
if(GMX_OPENMM)
- add_subdirectory(gmx_gpu_utils)
- include_directories(./gmx_gpu_utils ${OpenMM_INCLUDE_DIR})
+ include_directories(${OpenMM_INCLUDE_DIR})
link_directories(${OpenMM_LIBRARY_DIR})
# with this define no evn.var. is needed with OPENMM_PLUGIN_DIR
# if the same OpenMM installation is used for running and building
add_definitions( -DOPENMM_PLUGIN_DIR="${OpenMM_PLUGIN_DIR}" )
file(TO_CMAKE_PATH ${OpenMM_PLUGIN_DIR} _path)
add_library(openmm_api_wrapper STATIC openmm_wrapper.cpp)
- target_link_libraries(openmm_api_wrapper gmx_gpu_utils ${OpenMM_LIBRARIES})
- set(GMX_OPENMM_LIBRARIES openmm_api_wrapper gmx_gpu_utils ${OpenMM_LIBRARIES})
+ target_link_libraries(openmm_api_wrapper ${OpenMM_LIBRARIES})
+ set(GMX_OPENMM_LIBRARIES openmm_api_wrapper ${OpenMM_LIBRARIES})
endif(GMX_OPENMM)
if(GMX_FAHCORE)