I'm not too keen on this. The convention has been that files used to
develop the parsers are included in the basic folders, even if they're
no longer tested in the official tests. Usually if I'm working on (for
example) aobasis, I do:
ccget aobasis *.out
I have found this very useful, as the basic files contain several
variations of the same files. If these are moved to the regression
tests, it will no longer be possible to easily do this...
These are not very strong points, but I feel that we can keep cclib at
a higher quality by leaving them where they are for the moment. I
won't say that file size is not an issue...for example, cclib is
already too big for the Python cheeseshop. If we make it easier to get
particular attributes out of all of the test files, then I'll be happy
to move these to the regression suite. What do you think? Something
like "dataget.py aobasis Gaussian".
Noel
On 13/06/07, Karol Langner <kar...@kn...> wrote:
> There are number of data files in the */basic* paths that are not used in any
> tests. Shouldn't we move some of these files to the regression part in the
> interest of making the cclib package smaller? At least the ones that are not
> planned to be used in tests?
>
> The files are:
> data/ADF/basicADF2004.01/NH3.*
> data/ADF/basicADF2004.01/dvb_sp.*
> data/ADF/basicADF2004.01/dvb_sp_c.*
> data/ADF/basicADF2004.01/dvb_sp_d.*
> data/ADF/basicADF2004.01/dvb_sp_d.*
> data/ADF/basicADF2004.01/mo_sp.*
> data/GAMESS/basicGAMESS-US/C_bigbasis.*
> data/GAMESS/basicGAMESS-US/nh3_ts_ir.*
> data/GAMESS/basicPCGAMESS/CN_ir.*
> data/GAMESS/basicPCGAMESS/dvb_td.*
> data/Gaussian/basicGaussian03/C_bigbasis.*
> data/Gaussian/basicGaussian03/dvb_td.*
>
> --
> written by Karol Langner
> Wed Jun 13 09:56:25 CEST 2007
>
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