2013/2/5 永乐李 <[email protected]>: > Dear all, > > I'm a new user of VOTCA, and have tried to install VOTCA on my Mac book pro. > Firstly, I have tried to build a version without gromacs. > Everything seems OK, but when I tried to repeat the tutorial (I run the > gromacs on our local server and downloaded the output files) > > when I use > > csg_dump --top topol.tpr > > It reported > > an error occurred: > input format not supported: topol.tpr > > So would anyone please help me to understand why this thing happens and how > to fix it? tpr is a gromacs file format, so if you compile VOTCA without Gromacs, you will not be able to read them.
> Furthermore, when I installed gromacs 4.0.7 into my mac book, and re-built > the VOTCA, > it still report: > > -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR) > CMake Error at src/libcsg/CMakeLists.txt:25 (message): > gromacs not found, make sure you have installed at least the gromacs-4.0.7 > and it's dev package. If the gromacs module was not found above, make > sure > you have sourced GMXRC or set PKG_CONFIG_PATH yourself. If you have a > double precision version of gromacs enable to build against it with > -DGMX_DOUBLE=ON. If you have gromacs-5.0 installed enable to build > against > it with -DWITH_GMX_DEVEL=ON. Gromacs support can be disable it with > -DWITH_GMX=OFF. > > > -- Configuring incomplete, errors occurred! > > Seems it can not find the gromacs. How to make build.sh find the gromacs? > Thanks! Which version of VOTCA is that? Have you sourced GMXRC of your gromacs installation? Cmake uses pkg-config to find the gromacs library, does $ pkg-config --libs libgmx work? As a last resort you could also specify GROMACS_LIBRARY and GROMACS_INCLUDE_DIR by hand. Cheers, Christoph > > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at http://groups.google.com/group/votca?hl=en. > For more options, visit https://groups.google.com/groups/opt_out. > > -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca?hl=en. For more options, visit https://groups.google.com/groups/opt_out.
