VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Aug 15 2014 - 16:21:12 CDT

Chris,
  I have compiled VMD against CUDA 6.5, so unless you're using an older
version of the VMD source code, that should not be an issue at all.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Aug 15, 2014 at 04:05:50PM -0500, Chris Knorowski wrote:
> Thanks Josh,
> Do you know if there is a list of the highest version of the dependencies
> that vmd has been compiled with. I'm getting come compilation errors when
> CUDA is enabled and I'm wondering if its related to the version of
> CUDA(5.5) that I'm using.
> Chris
>
> On Thu, Aug 14, 2014 at 8:48 PM, Josh Vermaas <[1]vermaas2_at_illinois.edu>
> wrote:
>
> Hi Chris,
>
> I have not, as for me it picks up 2.7 without issue. What does a normal
> vmd python start look like for you? (The text from "vmd -dispdev text
> -python") It clearly isn't picking up the system libraries, as I think
> those are 2.7 at minimum, so somewhere, somehow, you missed something in
> the config file.
>
> This is what I have, based on my build for 12.04:
> $python_definesA A A A = "-DVMDPYTHON";
> $python_includeA A A A = "-I/usr/include/python2.7/";
> $python_libraryA A A A =
> "-L/usr/lib/python2.7/config-x86_64-linux-gnu/";
> $python_libsA A A A A A A = "-lpython2.7 -lpthread";
>
> The config file also has stuff involving stock_python nonsense, which I
> tend to comment out since its horrifically out of date and not useful to
> me since I define my libraries explicitly. Although... Now that I'm
> looking more closely at the Ubuntu directory structure, your problem may
> be that there isn't actually a shared library under /usr/lib/python2.7
> (which is why my $python_library goes one level deeper).
>
> Good luck! Compiling VMD for python is hard, but totally worth it in the
> end.
> -Josh Vermaas
>
> On 08/14/2014 04:52 PM, Chris Knorowski wrote:
>
> Hi All,
> I am trying to compile vmd against python 2.7. I have changed the
> configure file from python2.5 to python2.7. I have exported export
> PYTHON_LIBRARY_DIR=/usr/lib/python2.7
> and export PYTHON_INCLUDE_DIR=/usr/include/python2.7 then
> run./configure and compiled the src. Still when I run vmd, and use
> gopython the python version is 2.5? I am running on ubuntu with
> version LINUXAMD64. Has anyone else had this issue?
> Thanks,
> Chris
> --
> Christopher Knorowski
>
> Iowa State Physics Department
>
> --
> Christopher Knorowski
>
> Iowa State Physics Department
>
> References
>
> Visible links
> 1. mailto:vermaas2_at_illinois.edu 

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