Re: [AMBER-Developers] regression test directory

From: Gerald Monard <>
Date: Wed, 28 Jan 2015 16:10:03 +0100

On 01/28/2015 03:53 PM, Jason Swails wrote:
> On Wed, Jan 28, 2015 at 9:47 AM, Gerald Monard <
>> wrote:
>> Hello,
>> For the development/maintenance of the SEBOMD part and the QUICK part (=
>> ab initio code from Kennie's group) in AmberTools, I would like to set
>> up some tests that could be (very) time consuming. These would be mostly
>> regression tests to ensure that what is developed doesn't break anything.
>> Given that the current test/ directory (AmberTools+Amber) is ~2 Gbytes
>> and that what I will add should not be of any use for a non-developer, I
>> think it would be wiser to put my tests somewhere else.
>> What I suggest is to create a reg-test/ directory (or any name that
>> suits you) in Amber that would not be part of the distribution and that
>> could serve for development testing. I would keep (for SEBOMD and
>> quick), only relevant tests to ensure a proper compilation for the users
>> and move the rest to this directory.
>> Is this OK for you all?
> ​I would personally vote to put it in the test/ directory for the following
> reasons:
> - If they are too big to include in the tarball, the test directory
> containing them can be easily added to the tarball exclusion list so it's
> omitted from the tarball (just as easily as if it was 'sequestered').

If so, then I guess we should have a keyword or file to explicitly say
that we don't want the directory to be included in the distribution
("touch NOTAR"?). I'm not sure that I should play with the release maker
to specify one by one the directories in an excluded list.

> - If they are not too big to include, they could serve as nice examples for
> people wanting to use the functionality.​
> - Keeps things simpler -- how does a new developer decide what goes into
> "reg-test" vs "test"?

May be I'm wrong, but for me, the test/ directory serves for the "user"
to be sure that his/her compilation went right and that (s)he can trust
the results of his/her simulations (computationally speaking of course).
The reg-test would be a standard regression test directory intended for
developers to ensure that new functionalities don't break old ones or
that bugs are fixed.
e.g., to be sure that SEBOMD is correct after compilation, I could
nearly end up with only 1 test with "all" functionalities included. That
could be fast for a user. On the other way, I want to be able to check
my functionalities one by one when I develop. I could need hundreds of
tests, and some could be time consuming...


> - If it is not explicitly added to default rules in the Makefile, it will
> not be run by default (and so will not bog down everybody's standard
> testing)
> (So I guess my reasons for keeping things in test/ is a lack of reasons for
> *not* keeping things in test/ :-])
> Just my 2c,
> Jason

  Prof. Gerald MONARD
  SRSMC, Université de Lorraine, CNRS
  Boulevard des Aiguillettes B.P. 70239
  F-54506 Vandoeuvre-les-Nancy, FRANCE
  e-mail :
  tel.   : +33 (0)383.684.381
  fax    : +33 (0)383.684.371
  web    :
AMBER-Developers mailing list
Received on Wed Jan 28 2015 - 07:30:03 PST
Custom Search