[gmx-developers] Fwd: renaming Gromacs binaries

[Erik Lindahl]

Hi,

I don't really have any super-strong opinion, since we usually use AFS and have separate modules for versions, etc., However:

1. We can have arbitrary prefix/suffix modifiers, but let's not do anything more complex (that will be a pain to implement both in autoconf and cmake)

2. I'm a bit hesitant to do any large changes at this point, since we're gearing up for some major rearrangements as soon as we've pushed out the 4.5 release. We might make grompp optional, use a new tool for fixing up structures, merge/change analysis tools, and then it also seems natural to decide on a new well-designed naming scheme at that point?

3. Long-term, I think we need to decide: Either we have a _small_ number of programs that get installed e.g. in /usr/local/bin, or a larger number in a separate directory. 

4. If I had to choose, my preference would be towards g_XXX right now...

Cheers,

Erik

On Jun 8, 2010, at 7:35 PM, David van der Spoel wrote:

> 
> 
> -------- Original Message --------
> Subject: renaming Gromacs binaries
> Date: Tue, 8 Jun 2010 08:00:57 -0700
> From: Peter Kasson <kasson at gmail.com>
> Reply-To: kasson at stanford.edu
> To: David van der Spoel <spoel at xray.bmc.uu.se>
> 
> Hi David,
>  I'd put in a strong vote for having an easy way to maintain the
> current naming scheme if desired (although it might not be the
> default).  There are a lot of scripts out there that will get broken,
> etc...
> 
> 
> Thanks,
> --Peter
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----------------------------------------------------------
Erik Lindahl <lindahl at cbr.su.se>
Professor, Computational Structural Biology
Center for Biomembrane Research & Swedish e-Science Research Center
Department of Biochemistry & Biophysics, Stockholm University
Tel: +468164675 Cell: +46703844534