Re: [AMBER] MMPBSA.py.MPI

From: Jason Swails <jason.swails.gmail.com>
Date: Sat, 16 May 2015 12:30:17 -0400

On Sat, May 16, 2015 at 9:05 AM, George Tzotzos <gtzotzos.me.com> wrote:

> Thank you Jason,
>
> I’ll try what you suggested. I have one question.
>
> The installation of Python 2.7 via MacPorts will place it in
> /opt/local/bin.
> Should I remove then the native MacOS installations in /usr/bin (i.e.
> python2.6, python2.7)?
>

​No no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​
 :). You will break your operating system. *never* delete a system Python
(Windows doesn't have one, but all Linux and Mac ones do), since you have
no idea what system-critical programs depend on it. For instance, I think
a lot of package managers are either written entirely in Python or have
critical components written in Python.

​​
> Wouldn’t there be conflicts having python installed in two different
> directories?
>

​No. In fact, I have probably over a dozen different Python interpreters
on my computer with different versions and installed packages.​

And a trivial one just to satisfy my curiosity.
> How come that I did not encounter this problem in the amber parallel
> installation on the Mac Pro?
>

​I couldn't tell you without poking around the computer myself. It could
be that you already had a /opt/local/bin/python. It could be that your Mac
Pro runs OS X Server and only builds x86_64-compatible binaries... who
knows.

All the best,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat May 16 2015 - 10:00:02 PDT
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