[gmx-users] Linking contrib program issue

Mark Abraham mark.j.abraham at gmail.com
Fri Jul 24 13:41:48 CEST 2015


Contrib is somewhere we put code that someone might find a use for, but we
do no work on it, so it's probably all broken.

For things like building your own analysis tool, check out the machinery in


On Thu, Jul 23, 2015 at 11:28 AM Michael Cristòfol Clough <
michaelcristofol at gmail.com> wrote:

> Hello everyone,
> A few months ago I wrote a program for gromos and I want to rewrite it for
> gromacs now. I was able to link the external xdr library to a simple
> program but in order to acces information in the topology I would like to
> link my program with the rest of gromacs, here is where I'm in trouble, I
> can't compile and install my program with the rest of gromacs. What I
> expected when I read the README file in the contrib directory was that I
> simply had to add my program's name, e.g. FOO.c, in the CMakeLists.txt,
> leaving it like this:
>      FOO
> )
>         add_executable(${PROG} ${PROG}.c ${NGMX_COMMON_SOURCE})
>         set_target_properties(${PROG} PROPERTIES OUTPUT_NAME
> endforeach(PROG)
> But it didn't work.
> One of the things I tried, to discart errors of my program, was to try to
> use existing programs in the contrib directory and add them to the
> CMakeLists.txt, but I couldn't compile them either.
> I supose there's a simple way to do this. I would really appreciate it if
> someone could give me a hand, telling me the usual procedure or with a link
> to some reference material I could look at. I hope I'm not asking for too
> much.
> Best regards,
> Michael
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