On Fri, Apr 3, 2020 at 11:29 AM Ramon Gonzalez Perez
<[email protected]> wrote:
>
> Hello,
>
> I added -DENABLE_RPATH_INJECT=ON and moved from zsh to bash but got a new
> error when running make:
>
> error:
> no member named 'nmolblock' in 'gmx_mtop_t'
> for(int iblock=0; iblock<mtop.nmolblock; ++iblock)
> ~~~~ ^
Yea, VOTCA-1.4* doesn't support newer versions of gromacs. What
version of gromacs are you using?
>
> I tried the stable version and the installation seemed to work but when
> running csg_stat it says:
>
> dyld: Library not loaded: @loader_path/../lib/libgromacs.4.dylib
> Referenced from: /usr/local/votca/lib/libvotca_csg.6.dylib
> Reason: image not found
> Abort trap: 6
Did you source VOTCARC.bash and GMXRC.bash?
Alternatively, do "export
DYLD_LIBRARY_PATH=/usr/local/votca/lib:/usr/local/gromacs/lib"
Christoph
>
> This is the procedure I'm following:
>
> sudo rm -rf /usr/local/votca
> sudo rm -rf votca
> prefix=/usr/local/votca
> version=stable
> git clone -b ${version} --recursive https://github.com/votca/votca.git
> cd votca
> mkdir build
> cd build
> cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix} -DWITH_SQLITE3=OFF
> -DWITH_GMX=ON -DGROMACS_INCLUDE_DIR=/usr/local/gromacs/include
> -DGROMACS_LIBRARY=/usr/local/gromacs/lib/libgromacs.4.dylib
> -DENABLE_RPATH_INJECT=ON
> -DYLD_LIBRARY_PATH=/usr/local/votca/lib/libvotca_csg.6.dylib ..
> make -j5
> sudo make install
> source /usr/local/votca/bin/VOTCARC.bash
>
> And this is the content of the directories where the libraries are located:
>
> ls /usr/local/gromacs/lib/
> libgromacs.4.0.0.dylib libgromacs.4.dylib libgromacs.dylib pkgconfig
>
> ls /usr/local/votca/lib/
> cmake libvotca_csg.6.dylib libvotca_csg.dylib
> libvotca_tools.6.dylib libvotca_tools.dylib
>
> Am I missing something?
>
> Ramón
>
> On Wednesday, April 1, 2020 at 8:41:08 PM UTC-6, Christoph Junghans wrote:
>>
>> On Wed, Apr 1, 2020 at 2:52 PM Christoph Junghans <[email protected]> wrote:
>> >
>> > On Wed, Apr 1, 2020 at 2:36 PM Ramon Gonzalez Perez
>> > <[email protected]> wrote:
>> > >
>> > > I'm also getting that file. Did the installation work, then?
>> > >
>> > > Because when I try to use csg_stat I get the following message:
>> > >
>> > > dyld: Library not loaded: @rpath/libmkl_core.dylib
>> > > Referenced from: /usr/local/votca/bin/csg_stat
>> > You could try to adding -DENABLE_RPATH_INJECT=ON on your cmake comment.
>> > Alternatively, set the DYLD_LIBRARY_PATH variable to where your libmkl
>> > is located.
>> >
>> > > Reason: image not found
>> > > zsh: abort csg_stat
>> > Oh, you are using zsh, so the VOTCA.bash won't work for you as it is for
>> > bash.
>> > I guess, you could try "setopt NULL_GLOB" in zsh to make the bash file
>> > work.
>> Also fixed in the next release: https://github.com/votca/tools/pull/220
>>
>> Christoph
>> >
>> > Christoph
>> > >
>> > > On Wednesday, April 1, 2020 at 1:56:05 PM UTC-6, Christoph Junghans
>> > > wrote:
>> > >>
>> > >> On Wed, Apr 1, 2020 at 1:30 PM Ramon Gonzalez Perez
>> > >> <[email protected]> wrote:
>> > >> >
>> > >> > v1.4.1 through:
>> > >> >
>> > >> > sudo rm -rf /usr/local/votca
>> > >> >
>> > >> > prefix=/usr/local/votca
>> > >> >
>> > >> > version=v1.4.1
>> > >> >
>> > >> > git clone -b ${version} --recursive https://github.com/votca/votca.git
>> > >> >
>> > >> > cd votca
>> > >> >
>> > >> > mkdir build
>> > >> >
>> > >> > cd build
>> > >> >
>> > >> > cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix}
>> > >> > -DWITH_SQLITE3=OFF -DWITH_GMX=ON
>> > >> > -DGROMACS_INCLUDE_DIR=/usr/local/gromacs/include
>> > >> > -DGROMACS_LIBRARY=/usr/local/gromacs/lib/libgromacs.dylib ..
>> > >> >
>> > >> > sudo make -j5
>> > >> No sudo needed here.
>> > >> >
>> > >> > sudo make install
>> > >> I did exactly that on Linux and I get the following file:
>> > >>
>> > >> $ ls /usr/local/votca/share/votca/rc/
>> > >> csg-completion.bash
>> > >>
>> > >> Christoph
>> > >> >
>> > >> >
>> > >> > On Wednesday, April 1, 2020 at 1:23:14 PM UTC-6, Christoph Junghans
>> > >> > wrote:
>> > >> >>
>> > >> >> On Wed, Apr 1, 2020 at 1:14 PM Ramon Gonzalez Perez
>> > >> >> <[email protected]> wrote:
>> > >> >> >
>> > >> >> > Hello,
>> > >> >> >
>> > >> >> > I installed VOTCA on macOS but when I source
>> > >> >> > /usr/local/votca/bin/VOTCARC.bash I get this error:
>> > >> >> >
>> > >> >> > /usr/local/votca/bin/VOTCARC.bash:29: no matches found:
>> > >> >> > /usr/local/votca/share/votca/rc/*rc.bash
>> > >> >> How did you install VOTCA? What version?
>> > >> >>
>> > >> >> Christoph
>> > >> >> >
>> > >> >> > Thanks,
>> > >> >> >
>> > >> >> > Ramón
>> > >> >> >
>> > >> >> > --
>> > >> >> > 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 view this discussion on the web visit
>> > >> >> > https://groups.google.com/d/msgid/votca/c19d41b6-7295-41d3-8fac-1366431f7601%40googlegroups.com.
>> > >> >>
>> > >> >>
>> > >> >>
>> > >> >> --
>> > >> >> 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 view this discussion on the web visit
>> > >> > https://groups.google.com/d/msgid/votca/10085817-cd1a-45e6-8054-8e570f7ec1ea%40googlegroups.com.
>> > >>
>> > >>
>> > >>
>> > >> --
>> > >> 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 view this discussion on the web visit
>> > > https://groups.google.com/d/msgid/votca/23598d8a-56eb-4a45-a796-5e95a13c469d%40googlegroups.com.
>> >
>> >
>> >
>> > --
>> > Christoph Junghans
>> > Web: http://www.compphys.de
>>
>>
>>
>> --
>> Christoph Junghans
>> Web: http://www.compphys.de
>
> --
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--
Christoph Junghans
Web: http://www.compphys.de
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