[cclib-devel] Miscellaneous

[Dr N. O'B. <no...@ca...>]

On some miscellaneous notes, 

(1) I've put information on the symmetry labels used by ADF and GAMESS on 
the mosyms page. Have you considered that we should extract all of the 
symmetry labels if we extract all of the evalues? The info on the wiki 
needs to be updated if we agree to go down this route.

(2) It'd be good if you could run testall.py before uploading svn changes 
as this guarantees that code doesn't break, and that we move in the 
direction of passing increasing numbers of tests (a bug in the latest 
revision means that all tests failed for adfparser). And I think it's a 
pretty neat way of comparing the results from different programs for some 
sort of parser validation.

(3) With regard to aonames (or anything else), upload any relevant test 
files although try to aim for as small a file as possible. If you could add 
a description to the metadata, it'll make it easier for me to do the same 
(if necessary) for some of the other codes. As you are taking the lead on 
aonames, it'd also be good if you put up some specs/examples on the wiki, 
and I'll make sure other parsers meet the specs.

Happy Easter,
   Noel