On Fri, Jul 20, 2018 at 18:59 'Andrey Brukhno' via votca < [email protected]> wrote:
> By now I have installed SQLITE3, compiled latest version of Gromacs and > currently installing VOTCA. > I think i found that issue and fixed it in: https://github.com/votca/csg/pull/255 and https://github.com/votca/votca/pull/76 BTW, the Gromacs flag -DWITH_GMX=ON did not work for me either. > Can you be a bit more specific what the problem was? > 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. > Yeah, due to using C++11 we need CMake-3.1 now, but that should give an error immediately. Christoph > > Thanks > Andrey > > > > On Sat, Jul 21, 2018 at 1:48 AM, Christoph Junghans <[email protected]> > wrote: > >> >> >> On Fri, Jul 20, 2018, 16:49 'Andrey Brukhno' via votca < >> [email protected]> 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, <[email protected]> >>> wrote: >>> >>>> On Fri, Jul 20, 2018 at 3:11 PM, 'Andrey Brukhno' via votca >>>> <[email protected]> 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, <[email protected]> >>>> wrote: >>>> >> >>>> >> On Fri, Jul 20, 2018 at 11:08 AM, 'Andrey Brukhno' via votca >>>> >> <[email protected]> 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 < >>>> [email protected]> >>>> >> > wrote: >>>> >> >> >>>> >> >> On Thu, Jul 19, 2018 at 10:57 AM, 'Andrey Brukhno' via votca >>>> >> >> <[email protected]> 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/commit/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/40cbeb2daf4b4647292cf423e9755125cb7c3380 >>>> >> >> >>>> >> >> 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&searchon=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 >>>> >> >> >> >> >> >>>> >> >> >> >> >> -- >>>> >> >> >> 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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 [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. >>> >> -- >> 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 >> [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. >> > > -- > 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. 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