)
-# Uncomment the next line to build OpenMM:
-#option(GMX_OPENMM "Accelerated execution on GPUs through the OpenMM library (no longer supported" ON)
-
-# At run time, you may need to set the environment variable
-# OPENMM_PLUGIN_DIR=PATH_TO_GROMACS/openmm/lib/plugins
-# to make things work
-
-if(GMX_OPENMM)
- if(GMX_GPU)
- message(FATAL_ERROR "The OpenMM build is not compatible with the native GPU build")
- endif()
-
- # These won't actually do anything unless they precede the
- # definition of these options elsewhere. However, they can't be
- # FORCE-d either.
- set(GMX_BINARY_SUFFIX "-openmm" CACHE STRING "Suffix to distinguish OpenMM build from normal")
- set(GMX_LIBS_SUFFIX "_openmm" CACHE STRING "Suffix to distinguish OpenMM build from normal")
-
-#######################################################################
-# Check for options incompatible with OpenMM build #
-#######################################################################
- # we'll use the built-in fft to avoid unnecessary dependencies
- string(TOUPPER ${GMX_FFT_LIBRARY} GMX_FFT_LIBRARY)
- if(NOT ${GMX_FFT_LIBRARY} STREQUAL "FFTPACK")
- message(STATUS "No external FFT libraries needed for the OpenMM build, switching to fftpack!")
- set(GMX_FFT_LIBRARY "fftpack" CACHE STRING
- "No external FFT libraries needed for the OpenMM build, switching to fftpack!" FORCE)
- endif()
- if(GMX_MPI)
- message(FATAL_ERROR "The OpenMM build is not compatible with MPI!")
- endif(GMX_MPI)
- if(GMX_THREAD_MPI)
- message(STATUS "Thread-MPI not compatible with OpenMM, disabled!")
- set(GMX_THREAD_MPI OFF CACHE BOOL
- "Thread-MPI not compatible with OpenMM build, disabled!" FORCE)
- endif(GMX_THREAD_MPI)
- if(GMX_OPENMP)
- message(STATUS "OpenMP multithreading not compatible with OpenMM, disabled")
- set(GMX_OPENMP OFF CACHE BOOL
- "OpenMP multithreading not compatible with OpenMM, disabled!" FORCE)
- endif()
- if(GMX_SOFTWARE_INVSQRT)
- set(GMX_SOFTWARE_INVSQRT OFF CACHE STRING
- "The OpenMM build does not need GROMACS software 1/sqrt!" FORCE)
- endif(GMX_SOFTWARE_INVSQRT)
- string(TOUPPER ${GMX_CPU_ACCELERATION} GMX_CPU_ACCELERATION)
- if(NOT GMX_CPU_ACCELERATION STREQUAL "NONE")
- message(STATUS "Switching off CPU-based acceleration, the OpenMM build does not support/need any!")
- set(GMX_CPU_ACCELERATION "None" CACHE STRING
- "Switching off CPU-based acceleration, the OpenMM build does not support/need any!" FORCE)
- endif()
- if(GMX_FAHCORE)
- message(FATAL_ERROR "The OpenMM build does not support FAH build!")
- endif(GMX_FAHCORE)
- if(GMX_DOUBLE)
- message(FATAL_ERROR "The OpenMM-build does not support double precision calculations!")
- endif()
-
- set(CUDA_BUILD_EMULATION OFF)
- find_package(CUDA 3.1 REQUIRED)
- add_definitions(-DGMX_OPENMM)
- if(CMAKE_BUILD_TYPE STREQUAL "DEBUG")
- set(CUDA_VERBOSE_BUILD ON)
- endif()
-
- # mark as advanced the unused variables
- mark_as_advanced(FORCE GMX_CPU_ACCELERATION GMX_MPI GMX_FFT_LIBRARY
- GMX_QMMM_PROGRAM GMX_THREAD_MPI GMX_DOUBLE)
-
-else(GMX_OPENMM)
-
- mark_as_advanced(CLEAR GMX_CPU_ACCELERATION GMX_MPI GMX_FFT_LIBRARY
- GMX_QMMM_PROGRAM GMX_THREAD_MPI GMX_DOUBLE)
-
-endif(GMX_OPENMM)
-
foreach(PROG ${CONTRIB_PROGRAMS})
add_executable(${PROG} ${PROG}.c ${NGMX_COMMON_SOURCE})
set_target_properties(${PROG} PROPERTIES OUTPUT_NAME "${PROG}${GMX_BINARY_SUFFIX}")