By now I have installed SQLITE3, compiled latest version of Gromacs and currently installing VOTCA. BTW, the Gromacs flag -DWITH_GMX=ON did not work for me either. Not sure what was the issue with the flag -DWITH_SQLITE3=OFF, but my cmake version was below 3, so I had to reinstall it too.
Thanks Andrey On Sat, Jul 21, 2018 at 1:48 AM, Christoph Junghans <jungh...@votca.org> wrote: > > > On Fri, Jul 20, 2018, 16:49 'Andrey Brukhno' via votca < > votca@googlegroups.com> wrote: > >> Well, I tried to follow your instructions in this thread for "stable" >> branch. >> > Just checked, worked for me. Can you open an github issue with all the > details (commands, output etc.) > > Thanks, > > Christoph > >> >> Andrey >> >> On Fri, 20 Jul 2018 22:41 Christoph Junghans, <jungh...@votca.org> wrote: >> >>> On Fri, Jul 20, 2018 at 3:11 PM, 'Andrey Brukhno' via votca >>> <votca@googlegroups.com> wrote: >>> > The problem is, I remembered this option for the old build script and >>> tried >>> > to use it with cmake but still got the error "sqlite3 not found". >>> Which version of VOTCA are you using now? >>> >>> > >>> > Andrey >>> > >>> > On Fri, 20 Jul 2018 21:56 Christoph Junghans, <jungh...@votca.org> >>> wrote: >>> >> >>> >> On Fri, Jul 20, 2018 at 11:08 AM, 'Andrey Brukhno' via votca >>> >> <votca@googlegroups.com> wrote: >>> >> > Christoph, >>> >> > >>> >> > What is the flag for cmake not to search for SQLITE3? >>> >> WITH_SQLITE3=OFF, btw you can just look up the options in ccmake. >>> >> >>> >> Christoph >>> >> > >>> >> > Thanks >>> >> > Andrey >>> >> > >>> >> > >>> >> > On Thu, Jul 19, 2018 at 8:18 PM, Christoph Junghans < >>> jungh...@votca.org> >>> >> > wrote: >>> >> >> >>> >> >> On Thu, Jul 19, 2018 at 10:57 AM, 'Andrey Brukhno' via votca >>> >> >> <votca@googlegroups.com> wrote: >>> >> >> > >>> >> >> > >>> >> >> > On Thursday, July 19, 2018 at 4:48:14 PM UTC+1, Christoph >>> Junghans >>> >> >> > wrote: >>> >> >> >> >>> >> >> >> >> >>> >> >> >> >> > We recently fixed an issue in the Eigen3 detection: >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > https://github.com/votca/votca >>> /commit/8fdcedae9b46e1739fa2ef8589cd5a8f6881d420 >>> >> >> >> >> > which includes: >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > https://github.com/votca/tools >>> /commit/3ee8b88e6022772b843f21a04f66a5bd8bfddd09 >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > https://github.com/votca/csg/c >>> ommit/c3f9b3e2841c4b5c0eac20e4d843f6b108750ecf >>> >> >> >> >> > Did you use that version? >>> >> >> >> > >>> >> >> >> > >>> >> >> >> > No, I have not tried any newer version yet. My aim was to get >>> the >>> >> >> >> > latest >>> >> >> >> > release installed, which spack did succeed to do (v1.4.1). >>> >> >> >> But then I don't understand your original error because >>> votca-csg >>> >> >> >> 1.4.1 doesn't depend on Eigen3. >>> >> >> > >>> >> >> > >>> >> >> > I guess I meant (implicitly) that I tried to follow the >>> instructions >>> >> >> > for >>> >> >> > installation using cmake found on one of the VOTCA's webpages, >>> and >>> >> >> > that's >>> >> >> > when I encountered the error message about eigen3 (not sure now >>> what >>> >> >> > version >>> >> >> > it was, but I think 1.5.1). But then I went the spack way and was >>> >> >> > satisfied. >>> >> >> > Since then I have not tried cmake for any other version. But I >>> may >>> >> >> > try >>> >> >> > on my >>> >> >> > home PC soon. >>> >> >> I see, it is a bit confusing in the README of the new buildsystem, >>> >> >> hopefully that makes it more clear: >>> >> >> >>> >> >> >>> >> >> https://github.com/votca/votca/commit/40cbeb2daf4b4647292cf4 >>> 23e9755125cb7c3380 >>> >> >> >>> >> >> Christoph >>> >> >> > >>> >> >> >> >>> >> >> >> >>> >> >> >> > >>> >> >> >> > BTW, when I tried to install with apt-get nothing happened: no >>> >> >> >> > votca >>> >> >> >> > package >>> >> >> >> > found. Perhaps it would only work for 2016(+) Ubuntu? >>> >> >> >> Yes, only 2016.4 and later: >>> >> >> >> >>> >> >> >> >>> >> >> >> >>> >> >> >> https://packages.ubuntu.com/search?keywords=votca-csg&search >>> on=names&suite=all§ion=all >>> >> >> >> and v1.4.1 only in Ubuntu 18.04! >>> >> >> >> >>> >> >> >> > >>> >> >> >> >> >>> >> >> >> >> > >>> >> >> >> >> >> >>> >> >> >> >> >> Not sure what went wrong, but I had to use alternative >>> way of >>> >> >> >> >> >> installation >>> >> >> >> >> >> via spack, and it worked eventually, although it lloked >>> like >>> >> >> >> >> >> spack >>> >> >> >> >> >> installed >>> >> >> >> >> >> ALL the dependencies along with VOTCA in a separate >>> directory, >>> >> >> >> >> >> which >>> >> >> >> >> >> is >>> >> >> >> >> >> of >>> >> >> >> >> >> course an overkill. >>> >> >> >> >> > That is Spack's design, so don't complain to me! And yes we >>> >> >> >> >> > need >>> >> >> >> >> > to >>> >> >> >> >> > update the dependencies of the VOTCA package in Spack. >>> >> >> >> >> https://github.com/spack/spack/pull/8757 >>> >> >> >> > >>> >> >> >> > >>> >> >> >> > I see... Otherwise I also noticed that spack installs csg and >>> >> >> >> > tools >>> >> >> >> > separately in two directories beside each other. But then >>> >> >> >> > VOTCARC.bash >>> >> >> >> > etc >>> >> >> >> > occur in the tools/bin and VOTCASHARE points at >>> votca_tools/share >>> >> >> >> > instead of >>> >> >> >> > votca_csg/share, so the scripts/inverse are not found. I had >>> to >>> >> >> >> > reset >>> >> >> >> > VOTCASHARE correctly in my .bashrc. >>> >> >> >> Good point I will have to think, how to fix that. I think the >>> >> >> >> VOTCARC >>> >> >> >> file should get installed to start with as csg_inverse will >>> >> >> >> auto-detect the location (using csg_call in your PATH) if >>> VOTCASHARE >>> >> >> >> isn't set. >>> >> >> >> >>> >> >> >> Christoph >>> >> >> >> >>> >> >> >> > >>> >> >> >> > I mentioned this for other users to be aware. >>> >> >> >> > >>> >> >> >> > Andrey >>> >> >> >> >> >>> >> >> >> >> >>> >> >> >> >> >> >>> >> >> >> >> >> I suppose this post is just to notify the current >>> developers >>> >> >> >> >> >> that >>> >> >> >> >> >> there >>> >> >> >> >> >> might be some issue with finding an exiasting Eigen3 dir. >>> >> >> >> >> > Thanks for letting us know, can you try if above versions >>> fix >>> >> >> >> >> > the >>> >> >> >> >> > issue >>> >> >> >> >> > for you? >>> >> >> >> >> > >>> >> >> >> >> > Christoph >>> >> >> >> >> >> >>> >> >> >> >> >> Thanks >>> >> >> >> >> >> Andrey >>> >> >> >> >> >> >>> >> >> >> >> >> -- >>> >> >> >> >> >> 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 votca+un...@googlegroups.com. >>> >> >> >> >> >> To post to this group, send email to >>> vo...@googlegroups.com. >>> >> >> >> >> >> Visit this group at https://groups.google.com/group/votca >>> . >>> >> >> >> >> >> For more options, visit https://groups.google.com/d/op >>> tout. >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > >>> >> >> >> >> > -- >>> >> >> >> >> > Christoph Junghans >>> >> >> >> >> > Web: http://www.compphys.de >>> >> >> >> >> >>> >> >> >> >> >>> >> >> >> >> >>> >> >> >> >> -- >>> >> >> >> >> 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 votca+un...@googlegroups.com. >>> >> >> >> > To post to this group, send email to vo...@googlegroups.com. >>> >> >> >> > 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 votca+unsubscr...@googlegroups.com. >>> >> >> > To post to this group, send email to votca@googlegroups.com. >>> >> >> > 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 a topic in >>> the >>> >> >> Google Groups "votca" group. >>> >> >> To unsubscribe from this topic, visit >>> >> >> https://groups.google.com/d/topic/votca/cJnBEp9V0OY/unsubscribe. >>> >> >> To unsubscribe from this group and all its topics, send an email to >>> >> >> votca+unsubscr...@googlegroups.com. >>> >> >> To post to this group, send email to votca@googlegroups.com. >>> >> >> Visit this group at https://groups.google.com/group/votca. >>> >> >> For more options, visit https://groups.google.com/d/optout. >>> >> > >>> >> > >>> >> > -- >>> >> > 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 votca+unsubscr...@googlegroups.com. >>> >> > To post to this group, send email to votca@googlegroups.com. >>> >> > 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 a topic in the >>> >> Google Groups "votca" group. >>> >> To unsubscribe from this topic, visit >>> >> https://groups.google.com/d/topic/votca/cJnBEp9V0OY/unsubscribe. >>> >> To unsubscribe from this group and all its topics, send an email to >>> >> votca+unsubscr...@googlegroups.com. >>> >> To post to this group, send email to votca@googlegroups.com. >>> >> Visit this group at https://groups.google.com/group/votca. >>> >> For more options, visit https://groups.google.com/d/optout. >>> > >>> > -- >>> > 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 votca+unsubscr...@googlegroups.com. >>> > To post to this group, send email to votca@googlegroups.com. >>> > 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 a topic in the >>> Google Groups "votca" group. >>> To unsubscribe from this topic, visit https://groups.google.com/d/to >>> pic/votca/cJnBEp9V0OY/unsubscribe. >>> To unsubscribe from this group and all its topics, send an email to >>> votca+unsubscr...@googlegroups.com. >>> To post to this group, send email to votca@googlegroups.com. >>> Visit this group at 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