Re: [AMBER] MMPBSA ImportError

From: Joseph Baker <bakerj.tcnj.edu>
Date: Thu, 04 Feb 2016 23:06:02 +0000

Thanks, David. Actually, I got this fix (installing inside of the mmpbsa
directory) from a previous thread from 11/24/15 by Nicholas Cockroft
(pasted below). I thought I'd include this extra info below for
completeness in case it is useful.

----------
Hi Dwight,

That suggestion did not work either. However, I was able to fix the issue
by running make install from the $AMBERHOME/AmberTools/src/mmpbsa_py
directory. Thanks for all of your assistance

On Thu, Feb 4, 2016 at 5:50 PM David A Case <david.case.rutgers.edu> wrote:

> On Thu, Feb 04, 2016, Joseph Baker wrote:
>
> > I looked in the config.h in my amber directory, and I did not see the
> > PYTHON_INSTALL variable in there. The PYTHON path in config.h is
> >
> > #Python interpreter we are using
> > PYTHON=/usr/bin/python2.6
>
> OK: my fault. The PYTHON_INSTALL variable has been added since
> AmberTools15
> was released.
>
> > So I just execute that as root and it runs ./update_amber and the
> > ./configure script and make commands to compile everything. I still had
> to
> > do the manual make_install inside of the MMPBSA directory to get that to
> > update.
>
> This is odd, since I think no one has reported this problem before. There
> is
> a possibility that the Exxact configuration is odd in some subtle way. Or
> there is something else wrong.
>
> Since your problem seems have been fixed (by you), and since the way in
> which
> we handle python will be very different in the upcoming release, I'm
> inclined
> to wait to see if others report the same problem. (Jason may have some
> ideas
> here.)
>
> Thanks for the report...regards...dac
>
>
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Received on Thu Feb 04 2016 - 15:30:03 PST
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