Re: [AMBER-Developers] Python request

From: Jason Swails <>
Date: Fri, 15 Oct 2010 11:52:03 -0400


This is something I wanted to bring up as well. I am all for bundling the necessary python in with AmberTools, and we can even create wrappers for the python programs to force it to invoke the bundled Python. I'm pretty sure that Python will allow that, since pymol does just that. I've started with it kind of, by adding a configure_python script, but I don't know how people feel about adding Python to the git repo, since it's 12MB zipped.

That being said, though, we could automate the building of package dependencies like mpi4py, numpy, etc. At the latest, we can address this during the developers meeting.

Thoughts are welcome.


On Oct 15, 2010, at 11:23 AM, "B. Lachele Foley" <> wrote:

> The new Amber depends on Python. My experience with Python as a sysadmin has not been enjoyable -- to the point where I feel contempt every time I think of learning or using it.
> The problem is that Python versions are not necessarily backward or forward compatible. So, one must keep multiple versions installed, and it is inadvisable to permanently set any in ones path. Because of this, my request is to either (or both):
> 1. Bundle the required Python with Amber and build it as a matter of course. Have internals always point to the Python down in AMBERHOME. Will Python's license allow this? I think it should, given the way it operates.
> 2. Allow, somehow, for Amber to know an "AMBERPYTHONHOME" setting so that I can point it to whatever Python build it wants without having to permanently set a specific Python in my path (or having to remember reset it every time I use Amber and heaven forbid I want to use another program that wants a different Python in the same session...).
> :-) Lachele
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Received on Fri Oct 15 2010 - 09:00:03 PDT
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