VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Oct 25 2004 - 13:28:44 CDT

Jim,
  I'm not in a position to change this right this moment, but when I get
a couple of days to work on this, I'll do the version upgrade and ask
for testing help from you guys.

  John Stone
  vmd_at_ks.uiuc.edu

On Sun, Oct 24, 2004 at 09:21:11AM -0400, Jim Nettles wrote:
> Dear John,
>
> I feel the bite of this issue too. Back in June, I ran into the
> problem when trying to run Interactive Essential Dynamics (IED)
> http://mccammon.ucsd.edu/ied/ on my Powerbook. I've slogged through
> trying to get it work multiple ways, as has one of my colleges. We have
> these amazing simulations that we can see on the Linux box in the lab,
> but we can't take on the road. I would have VMD-IED in a presentation
> on next Monday if I could get it to work.
>
> Thanks John, for all you do. Yours is an amazing interface to
> scientific visualization. The above reflects that this scientist
> really does want VMD/Python to run seamlessly on all platforms and also
> appreciates that it is time consuming. If you are in a position to put
> a push on this, I feel sure that we could coordinate some testers and
> helpers. Matt?
>
> Thanks again.
>
> With regard,
>
> Jim Nettles
>
> On Oct 24, 2004, at 4:47 AM, hinsen_at_llb.saclay.cea.fr wrote:
>
> >On 22.10.2004, at 22:40, John Stone wrote:
> >
> >>to try and do this as well as a number of other related Python
> >>improvements
> >>before 1.8.3 gets released. None of the libraries VMD uses are really
> >>"permanent versions", but we often choose to stick with well-tested
> >>revs
> >>for two releases in a row since that avoids the possibility of new
> >>bugs
> >>creeping in as a result of library upgrades. I haven't upgraded the
> >
> >That's a reasonable choice, and doesn't bother anyone except for the
> >Python stuff, which always depends on items outside the VMD
> >distribution.
> >
> >I have similar issues with VMD's Python support as Lars, but I have
> >drawn a different conclusion: I don't use it any more. Which is a bit
> >ironic, considering that I do nearly all my computational work in
> >Python. But making VMD and Python compatible is a lot of work, and
> >even though I might be willing to do it for my own machines, I would
> >end up doing lots of tech support for my collaborators who couldn't
> >use my code.
> >
> >Since this is really "just" a build issue, it could be solved at least
> >for those platforms that have automated build procedures (RPMs and
> >Debian packages for Linux, fink for MacOS). And I guess there would be
> >volunteers to do the necessary adaptation of the build scripts. Does
> >that sound like a promising approach?
> >
> >Konrad.
> >
> ________________________________________________________
> Jim Nettles, Scientific Consultant
> Liotta/Snyder Group, Modeling Division, Department of Chemistry
> Emory University 1515 Pierce Dr. Atlanta, Ga. 30322
> ________________________________________________________ 

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