Hi, I would like to report a problem when trying to install gromacs-4.6.1 with cmake together with QMMM orca interface.
My installation command is as follows: CMAKE_INCLUDE_PATH=/opt/fftw/include CMAKE_LIBRARY_PATH=/opt/fftw/lib cmake .. -DCMAKE_INSTALL_PREFIX=/opt/gmx-4.6.1_qmmm_orca -DGMX_QMMM_PROGRAM=ORCA -DGMX_PREFER_STATIC_LIBS=ON Although the GMX_QMMM_PROGRAM variable is properly set in CMakeCache.txt as "GMX_QMMM_PROGRAM:STRING=ORCA" it is not defined in src/config.h. I defined it by hand adding "#define GMX_QMMM_ORCA" in src/config.h. Everything is installed properly now and running. Maybe there is a way to correct for this in the cmake routine but I have no clue how to do that. Hope that helps also others who want to install with the same options. Regards, Esteban Vöhringer-Martinez Fac. Cs. Químicas, Universidad de Concepción, Chile -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
