[gmx-developers] Makefile for template.c

Florian Dommert dommert at fias.uni-frankfurt.de
Mon Sep 29 19:19:36 CEST 2008

* David van der Spoel <spoel at xray.bmc.uu.se> [2008-09-29 19:04:01 +0200]:

> Berk Hess wrote:
>> David van der Spoel wrote:
>>> Carsten Kutzner wrote:
>>>> Hi,
>>>> I have seen a small inconsistency with the template project. If
>>>> I "make install" gromacs 4.0 rc2 and then want to do a
>>>> make -f Makefile.x86_64-unknown-linux-gnu to build the template,
>>>> I get lots of errors. The reason is a wrong include path in the
>>>> CFLAGS variable: it points to
>>>> /path/where/gmx40/is/installed/include/
>>>> but the header files are actually in a subdirectory include/gromacs.
>>>> So CFLAGS needs to point to
>>>> /path/where/gmx40/is/installed/include/gromacs/
>>>> Probably something needs to be changed in the build process of the
>>>> makefile then.
>>>> Carsten
>>> I am about to fork off the contrib directory, and maybe the template 
>>> should move there. That will incorporate a separate configure step etc.
>> I think it is ok where it is now.
>> template.c should be in the distribution.
> OK, why don't we put it in the src/tools directory then? Many people may not 
> even find it.
> The advantage with having it in contrib is that you can meddle with all the 
> code without breaking the normal gromacs tools. The only disadvantage is 
> that one would have to download another tarball.

why don't you leave the template where it is and change just the
corresponding procedure that generates the Makefile for the project ?
Then no errors would occur, everybody would find it and the development
of further g_tools can be done straightforward.

Best Regards,


> -- 
> David van der Spoel, Ph.D., Professor of Biology
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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Florian Dommert

Computational and Theoretical Softmatter & Biophysics group

Frankfurt Institute for Advanced Studies
Johann-Wolfgang-Goethe University

Ruth-Moufang-Str. 1
60438 Frankfurt am Main

Phone: +49(0)69 / 798 - 47522
Fax:   +49(0)69 / 798 - 47611

EMail: dommert at fias.uni-frankfurt.de
Home: http://fias.uni-frankfurt.de/~simbio/Florian_Dommert
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