[gmx-users] g++ compiling with gromacs library

[Kit Sang Chu]

Hi David,

What is in the directory
> /home/simon/Softs/gromacs5-1/opt/


I have include in opt:

ls
bin  include  lib  share


It depends where you installed gromacs.
> By the way why use an ancient version of gromacs?

The code is given by my colleague so I have no choice. Even if I want to
update it I should see if it runs properly in the ancient version first.


On Wed, Nov 21, 2018 at 1:07 PM David van der Spoel <spoel at xray.bmc.uu.se>
wrote:

> Den 2018-11-21 kl. 21:56, skrev Kit Sang Chu:
> > Somehow the problem persists. Here I try -l
> > /home/simon/Softs/gromacs5-1/opt/include again.
> What is in the directory
> /home/simon/Softs/gromacs5-1/opt/
>
> It depends where you installed gromacs.
> By the way why use an ancient version of gromacs?
> >
> > g++ -l /home/simon/Softs/gromacs-5.1/opt/include GlyRot.cpp -o GlyRot.o
> > -Wall -c
> > GlyRot.cpp:8:10: fatal error: gromacs/commandline.h: No such file or
> > directory
> >   #include "gromacs/commandline.h"
> >            ^~~~~~~~~~~~~~~~~~~~~~~
> > compilation terminated.
> >
> >
> > Regards,
> > Simon
> >
> >
> > On Wed, Nov 21, 2018 at 12:18 PM Alexander Tzanov <
> > Alexander.Tzanov at csi.cuny.edu> wrote:
> >
> >> Use -I/path to your include directory in CFLAGS.
> >>
> >> On Nov 21, 2018 2:59 PM, David van der Spoel <spoel at xray.bmc.uu.se>
> wrote:
> >> Den 2018-11-21 kl. 19:09, skrev Kit Sang Chu:
> >>> Hi everyone,
> >>>
> >>> I have a Makefile from my colleague and I am trying to make it
> compile. I
> >>> have given the library path but the problem persists.
> >>>
> >>> g++ -I /home/simon/Softs/gromacs-5.1/opt GlyRot.cpp -o GlyRot.o -Wall
> -c
> >>
> >> -I /home/simon/Softs/gromacs-5.1/opt/include
> >>
> >>> GlyRot.cpp:8:10: fatal error: gromacs/commandline.h: No such file or
> >>> directory
> >>>    #include "gromacs/commandline.h"
> >>>             ^~~~~~~~~~~~~~~~~~~~~~~
> >>> compilation terminated.
> >>>
> >>> I understand it is a simple compile error. Still it would be great to
> >> know
> >>> the answer here. Thanks in advance.
> >>>
> >>> Simon
> >>>
> >>
> >>
> >> --
> >> David van der Spoel, Ph.D., Professor of Biology
> >> Head of Department, Cell & Molecular Biology, Uppsala University.
> >> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
> >> http://www.icm.uu.se
> >> --
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>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Head of Department, Cell & Molecular Biology, Uppsala University.
> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
> http://www.icm.uu.se
> --
> Gromacs Users mailing list
>
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