O , 2012-06-19 18:38 +0100, ovalerio rakstīja:
> Hi Geoff,
>
> Thanks. I'm aiming to use OpenBabel as a platform to learn about
> parallelization using GPU and multicore CPU. I want also to contribute
> the code I develop to the OpenBabel project. Following Noel suggestion I
> am first looking at the forcefields used in energy calculation and in
> particular MMFF94.
>
> I followed your advise. After editing the CMakeCache.txt and adding the
> compiler flags OpenMP is working for me. However, I would like to avoid
> this additional step by adding some conditional compilation lines to the
> CMakeLists.txt
>
> #Find if OpenMP support is enable
> find_package(OpenMP)
> if(OPENMP_FOUND)
> set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
> set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
> set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS}
> ${OpenMP_EXE_LINKER_FLAGS}")
> endif()
IMHO this should be wrapped in a cmake flag to enable/disable during
configuration so it can be explicitly turned on/off as needed, not just
rely on automagick feature discovery.
Reinis
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