2017-10-02 4:08 GMT-06:00 Sudeep Maheshwari <[email protected]>: > 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 If don't need ctp, you also don't need sqlite3 as well and can disable it with the "-DWITH_SQLITE3=OFF" option, csg works without sqlite3.
If you need ctp, you will need to add -DSQLITE3_INCLUDE_DIR="/home/smaheshwari/bin/include" and -DSQLITE3_LIBRARY="/home/smaheshwari/bin/lib/libsqlite3.so" Please note, that we are requiring sqlite3 for ctp and hence both variables are called SQLITE3 (note the "3"), and cmake wants SQLITE3_LIBRARY to be that path to the library, incl. the library name itself. You can use cmake-gui to see all variables: $ export CMAKE=cmake-gui $ ./build.sh --prefix ~/votca --dev .... For more hints see: https://github.com/votca/csg/wiki/Installing Christoph > > 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. -- 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.
