2013/2/6 永乐李 <[email protected]>: > 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. I guess the problem here is that PKG_CONFIG_PATH is not set correctly. > > 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) And that is the other problem, cmake doesn't care about environmental variables, you will have to specify the Variables on build.sh command line
$ ./build.sh -DGROMACS_INCLUDE_DIR=... -DGROMACS_LIBRARY=... tools csg Btw, build.sh can also build gromacs 4.5.5 for you: $ ./build.sh gromacs > > Thanks again for informative suggestions. > Nice to meet you and I will be back again when I am in front of further > problem. Welcome and don't hesitate to ask! Christoph > > All bests, > > > > > On Tuesday, February 5, 2013 4:48:36 PM UTC-7, Christoph Junghans wrote: >> >> 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. > > -- 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.
