[AMBER-Developers] NAB tests

From: Ben Roberts <roberts.qtp.ufl.edu>
Date: Mon, 1 Mar 2010 14:53:27 -0500

Hi all,

In a supplement to the recent flurry of emails about test scripts, in
my sandbox I've gone through and rewritten the NAB tests to use run
scripts and dacdif. Thus, the output is more standardised, and the run
scripts also call a "program error" type function in the event of an
actual failure (previously, they would just report that the outputs
were different).

A potential downside here is that the actual differences are no longer
printed to STDOUT, per dacdif's way of doing things. Another potential
downside is that dacdif is doing things I don't entirely expect, and
that important differences are thereby being skipped.

A third risk is: what environment variables are needed? In the run
scripts, BINDIR, NABFLAGS and SFX are clearly required. They are
passed from the nab Makefile, but aren't available independently,
because the Makefile in turn gets them from src/config.h. Also, does
NAB expect any environment variables to be present, and is that why a
run script approach has previously been avoided?

So, while I find it useful to have the greater consistency, I was
wondering whether on balance the changes will be good before I commit
them. Thoughts?

- Ben
Dr. Benjamin P. Roberts
Postdoctoral Research Associate
Quantum Theory Project
University of Florida
2301 New Physics Building #92
PO Box 118435
Gainesville FL 32611-8435
United States
Phone: +1 352 392 6712
Cell: +1 352 222 3677
Member of the American Chemical Society
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Received on Mon Mar 01 2010 - 12:00:03 PST
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