I found the web page showing the commands to force search locations, i am able to include commands for the location of SQLITE but the GROMACS is installed as a module which works when i load it using "module load gromacs" on the cluster. Also after even after specifying the locations for the directory of sqlite, the program is not able to detect it and shuts out with the error of No package sqlite3 found.
Could you please suggest me some solution of both of these problems I am using the command ./build.sh --prefix ~/votca --dev -DSQLITE_INCLUDE_DIR=/home/smaheshwari/bin/include -DSQLITE_LIBRARY=/home/smaheshwari/bin/lib -DWITH_GMX=OFF tools csg kmc moo ctp ctp-tutorials ctp-manual sudeep On Monday, October 2, 2017 at 11:06:23 AM UTC+2, Sudeep Maheshwari wrote: > > Thanks a lot for the reply christoph > > I am facing some more problem in compiling VOTCA, as compiling without > sqlite3 is not working and i figured out that i might need gromacs > somewhere down the line > > Could you please tell me how to force search location for gromacs and > sqlite3 while building votca. > > I was trying the following command but now i want to specify location of > gromacs and sqlite3 while building > ./build.sh --prefix ~/votca --dev -DWITH_GMX=OFF tools csg kmc moo ctp > ctp-tutorials ctp-manual > > cheers > sudeep > > On Friday, September 29, 2017 at 11:04:49 PM UTC+2, Christoph Junghans > wrote: >> >> Sudeep, >> >> >> >> 2017-09-29 9:02 GMT-06:00 Sudeep Maheshwari <[email protected]>: >> > Hello All >> > >> > I am new to installing and using VOTCA. We dont use Gromacs in our >> group and >> > i have to make VOTCA work with LAMMPS. >> > Could someone please point out how to use build.sh to make Votca on my >> > computer with LAMMPS as the MD software and not Gromacs. >> You can compile VOTCA with -DWITH_GMX=OFF to disable the gromacs backend. >> >> > Any hint in this direction would be very valuable. Also if someone >> could >> > comment on how good does LAMMPS work with VOTCA would be nice. >> There are a couple of tutorials using LAMMPS in csg-tutorials: >> $ ls -d */*lammps* >> spce/ibi_lammps spce/realtime_lammps spce/re_lammps >> >> And searching the mailing also has some help on LAMMPS: >> <https://groups.google.com/forum/#!searchin/votca/lammps%7Csort:relevance> >> >> there are even a version of the propane/ibi tutorial for LAMMPS: >> <https://groups.google.com/d/msg/votca/FeFw9xYgU6k/aQoDwIqGwaoJ> >> >> If you need something specific just ask! >> >> Christoph >> > >> > cheers >> > sudeep >> > >> > -- >> > 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 https://groups.google.com/group/votca. >> > For more options, visit https://groups.google.com/d/optout. >> >> >> >> -- >> 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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
