[gmx-developers] Fwd: renaming Gromacs binaries

[David van der Spoel]

On 2010-06-09 01.50, hess at sbc.su.se wrote:
> Hi,
>
> I agree with Erik on all points.
>
> I also agree on the preference for g_...
> Not only because it is shorter, but also because this causes
> the least changes.


And what about those voices (Chris Neale, Peter Kasson) that are 
vehemently against changing names?

There is one serious problem with changing names, and changing all your 
scripts, and that is that it becomes difficult to compare to older 
versions of gromacs (unless you also change names of binaries in old 
gromacs installations).

I'm happy to provide a simple perl script for patching scripts if that 
is of any comfort - personally I think that is the way to go.

Chris, Peter, more comments?
>
> Berk
>
>
>> 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
>>> --
>>> gmx-developers mailing list
>>> gmx-developers at gromacs.org
>>> http://lists.gromacs.org/mailman/listinfo/gmx-developers
>>> Please don't post (un)subscribe requests to the list. Use the www
>>> interface or send it to gmx-developers-request at gromacs.org.
>>>
>>
>> ----------------------------------------------------------
>> 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
>>
>> --
>> gmx-developers mailing list
>> gmx-developers at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-developers
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-developers-request at gromacs.org.
>>
>


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