Re: [AMBER] [PATCH 0/8] AmberTools cleanups

From: David A Case <>
Date: Tue, 23 Oct 2012 08:43:36 -0400

On Tue, Oct 23, 2012, Reinis Danne wrote:
> Working on Gentoo ebuild for AmberTools I ended up with several
> patches which might be useful to include in AmberTools.

Thanks for your suggestions, which we will look at, and probably incorportate
some. Some are unlikely to gain acceptance from developers. In particular,
we almost always want to see the results of all tests, even if some fail.
With many hundreds of tests, many/most platforms have a few "failures", and
and stopping (until they are fixed) is often not very helpful. I also think
that for most users, the disadvantage of "make -j" for the tests (that the log
files are not in order and might even be messed up) outweighs the speed

Other fixes look quite helpful. I was not aware of arpack-ng, and will look
into that. I don't understand what goes wrong if you hardcode the ucpp path:
the whole point is to make sure that we get a consistent pre-processor
behavior; at least in the old days, versions of cpp that might be lying around
on a system could not be relied upon.


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Received on Tue Oct 23 2012 - 06:00:04 PDT
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