VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Apr 26 2005 - 17:13:36 CDT

Hi,
  I have numpy working on a test VMD build. I had no end to problems
with getting it to work correctly on the Mac with Python 2.2, but I just
built a fresh VMD against a newly compiled Python 2.3.4 and that seems
to load numpy correctly. This leaves me with the problem of having multiple
versions of Python to deal with, until the 64-bit builds of Python work
correctly, but in the short term I'm willing to give people test builds
of VMD for MacOS X that are compiled against Python 2.3.x so they can use
numpy etc. I'm still working on making this Python build work correctly
with TkInter. If you guys want to test what I have now, despite the
remaining issue with TkInter, I can post a test build for you.

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Apr 26, 2005 at 03:17:32PM -0400, Hirsh Nanda wrote:
> Has anyone else succesfully gotten python and numpy to work with VMD
> on a Mac OSX 10.3 platform. The python libraries linked in an earlier
> post don't seem to work. I've been trying the compile the source code
> option but have run into numerous problems. In particular the link to
> the source code for the STRIDE and SURF plugins are broken or
> outdated. And in general the documentation for compiling VMD is not
> helpful, it needs to explain the procedure in significantly more
> detail. I've basically hit a wall here, if anyone has had any success
> with VMD & python on their Mac please help me out.
>
> -Hirsh
>
> On 4/20/05, John Stone <johns_at_ks.uiuc.edu> wrote:
> >
> > Will,
> > Building VMD isn't all that hard actually, the hardest part tends to
> > be building the various libraries that VMD links against. Python has
> > been "interesting" on MacOS X. I'm still in the middle of sorting
> > out various stuff with our MacOS X Python build. Since you'll be
> > compiling your own VMD binaries, it shouldn't be hard, you could
> > even choose to use the Apple provided Python if you wanted to.
> > In my case, I attempt to package the same rev of Python on all of
> > the architectures, to ensure a degree of consistency in the behavior
> > of VMD and because I don't have time to maintain more than one rev
> > at once. For your own purposes, you can choose any version that
> > is stable enough for your taste on the platform(s) of your choosing.
> >
> > John
> >
> > On Wed, Apr 20, 2005 at 12:32:05PM -0700, William Sheffler wrote:
> > > Hi John
> > >
> > > I'm about to buy a 17" powerbook, and I was wondering how hard it is to
> > > compile VMD on a mac. I've tried and failed on linux before, so I'm a
> > > little nervous. I'm going to need a fully operational python interpreter
> > > built in. Can you make any suggestions? Also, what are the advantages
> > > and disadvantages of writting a VMD plug-in (Extension?)?
> > >
> > > I'm really looking forward to this Rosetta/VMD project! I'm probably
> > > going to get started once the powerbook order comes thru.
> > >
> > > -Will
> >
> > --
> > NIH Resource for Macromolecular Modeling and Bioinformatics
> > Beckman Institute for Advanced Science and Technology
> > University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> > Email: johns_at_ks.uiuc.edu Phone: 217-244-3349
> > WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
> > 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078