On Sat, Jul 21, 2018 at 7:42 PM, Christoph Junghans <[email protected]> wrote:
> > > 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 > > Good to know! +if(DEFINED WITH_SQLITE3 AND NOT WITH_SQLITE3) sounds weird - perhaps it's just the computer logic :) just kidding... > > BTW, the Gromacs flag -DWITH_GMX=ON did not work for me either. >> > Can you be a bit more specific what the problem was? > > I wanted VOTCA to install Gromacs along with itself as it did before (build script for v1.3 did), but the flag -DWITHGMX=ON provided to cmake did not do that (seemed like it ignored the flag), so I had to install Gromacs newest version by myself. > >> 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. > > Yes, I was installing on my laptop and did not check the cmake version first. Then, after checking it, I was surprised it did not complain as it did on my work desktop. Andrey > 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 >>>>> >> >> >> >> >> >>>>> >> >> >> >> >> -- >>>>> >> >> >> >> >> 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 >>>>> >> >> >> >> >>>>> >> >> >> >> >>>>> >> >> >> >> >>>>> >> >> >> >> -- >>>>> >> >> >> >> 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 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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 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 a topic in the >>>>> Google Groups "votca" group. >>>>> To unsubscribe from this topic, visit https://groups.google.com/d/ >>>>> 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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 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. 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