Hi Chris, Thanks for help! The command I used is just:
./build.sh and without other keyword. I have specified both the two environment variables by hand, but the build.sh still can not find them. (The directory contains the lib and include is: /usr/local/gromacs/lib and /usr/local/gromacs/include) Even I have installed the pkg-config, the pkg-config can not find the so-called libgmx.pc, and there is no such file in both the compiling directory and the program directory. At last, I created soft links in the directory /usr/local/lib and /usr/local/include. After this specification, it works! (Although I don't know why it can search these two paths but can not read my environmental variables) Thanks again for informative suggestions. Nice to meet you and I will be back again when I am in front of further problem. All bests, On Tuesday, February 5, 2013 4:48:36 PM UTC-7, Christoph Junghans wrote: > > 2013/2/5 永乐李 <[email protected] <javascript:>>: > > 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] <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.
