What is AMBERHOME set to? The thing that *should* make this work is the
export PYTHONPATH=$AMBERHOME/AmberTools/src/etc\:$PYTHONPATH
line. This tells python to look in $AMBERHOME/AmberTools/src/etc for any
missing packages (i.e. chemistry/, which is where that package is located).
What I'm guessing may have happened here is that you extracted AmberTools to
a new directory and tried building in there without ever resetting AMBERHOME
to point to your new directory. This would work for most things, I think,
since Amber install deals mostly with relative PATHs.
This would also explain why, perhaps, Amber didn't build its own python
(since it should, by default, unless you configure with -nopython).
Any of those sound like they may fit?
Thanks!
Jason
On Thu, Apr 7, 2011 at 4:10 PM, Thomas Cheatham III <tec3.utah.edu> wrote:
>
> > Can you send me your setup.sh file? It *says* that it's using the system
>
> Attached. Note my mmpsba_py does not have a chemistry subdirectory (in
> at15-with-patches on git or from the tarball). If I do indeed cp that
> etc/chemistry directory into mmpbsa_py it finished happily... --tom
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Thu Apr 07 2011 - 17:30:03 PDT
