[gmx-users] Linking contrib program issue

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


Hi,

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
share/template

Mark

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:
>
> set(CONTRIB_PROGRAMS
>      FOO
> )
>
> foreach(PROG ${CONTRIB_PROGRAMS})
>         add_executable(${PROG} ${PROG}.c ${NGMX_COMMON_SOURCE})
>         set_target_properties(${PROG} PROPERTIES OUTPUT_NAME
> "${PROG}${GMX_BINARY_SUFFIX}")
> 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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