Re: [cclib-devel] GAMESS-US 2012

[Karol M. L. <kar...@gm...>]

OK, I took another look at the GAMESS-US test files. It seems that
the files in basicGAMESS-US are from various different versions.
So, it seems more reasonable to just update the one output file
that gives more consistent results for dvb_td_triplet (that is, etsecs
sum up closer to 1), and possibly those that have changed substantially
in the new version of GAMESS-US and require parser work.

That leaves the question, then, what to do with the old output files,
which are not from one set version. Rename with a version postfix and
transfer to regressions?

Another option would be to just add additional logfiles for the outputs
that have changes, by adding _a or _b to the names like was done in the
case of several other parser.

Let me know what you think,
Karol

P.S. It also seems now a good idea to me to parse the version of a
program for information purposes, and it should be quite easy.

On Nov 28 2012, Karol M. Langner wrote:
> Hi guys,
> 
> I propose to update the GAMESS-US standard tests. The main motivation
> for this is that the dvb_td_triplet test in the 2012 version actually
> passes all the unit tests we have (the 2010 fails in one case). Also,
> there are some formatting changes in the output files, so some
> straightforward update to the parser is in order. I have all the output
> files ready.
> 
> Let me know what you think. And, what do we do with the current output
> files in basicGAMESS-US? We should still make sure they are parsed
> correctly. Shall I move them to, say, basicGAMESS-US-2005 as we
> discussed some time ago, or rather to the regression suite?
> 
> - Karol

-- 
written by Karol M. Langner
Wed Nov 28 01:06:36 CET 2012