Re: [AMBER-Developers] Amber build and environment

From: Jason Swails <>
Date: Tue, 25 Mar 2014 13:03:27 -0400

On Tue, 2014-03-25 at 11:35 -0300, Gustavo Seabra wrote:
> Very nice idea. How about generate a file in “module” format as well? (Maybe only if requested, as an option?)

Additional options lead to more complexity and a higher risk of
confusion, so I would opt for printing it out automatically if at all.
There are several reasons I avoided writing a modulefile, though (the
thought did cross my mind):

- Not many people maintain modules in my experience -- mainly HPC folks
and people like myself that are anal about keeping a clean environment
for lots of tinkering. As a result, the vast majority of users would not
use the modulefile (and may not even know what it is)

- Those that use the modules environment know what they're doing enough
to translate the files quickly into modulefiles. They're
also more likely to have opinions about appending vs. prepending to
various environment path variables, so they'll likely want to make their
own or carefully proofread the ones we create anyway.

- There are at least 2 implementations of the module framework that I
know about (Lmod and Modules), and they support different syntaxes.
While the Lmod documentation suggests that it can support the tcl
scripts written for Modules, I use Modules so I have no way of easily
testing Lmod. There might also be implementations I don't know about.

Just my 2c.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER-Developers mailing list
Received on Tue Mar 25 2014 - 10:30:02 PDT
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