2013/2/5 永乐李 <[email protected]>: > 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? If there is no pkg-config, you will need to specify GROMACS_INCLUDE_DIR and GROMACS_LIBRARY by hand!
What was your build.sh command line? And have a look here: <https://code.google.com/p/votca/wiki/Installing#Additional_Options> > > On Tuesday, February 5, 2013 1:56:42 PM UTC-7, Christoph Junghans wrote: >> >> 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. > > -- 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.
