Thanks for help! the VOTCA I've installed is votca-csg-1.2.3.
But there is no pkg-config command on my mac. I've already sourced the GMXRC, and specified both the GROMACS_LIBRARY and GROMACS_INCLUDE_DIR by hand. Need I install the pkg-config? On Tuesday, February 5, 2013 1:56:42 PM UTC-7, Christoph Junghans wrote: > > 2013/2/5 永乐李 <[email protected] <javascript:>>: > > 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] <javascript:>. > > To post to this group, send email to [email protected]<javascript:>. > > > 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.
