[cclib-devel] Moving towards release

[Noel O'B. <bao...@gm...>]

Almost ready to release...we just need to get a few tests to pass and
polish off some attributes. Here's what I've been doing/thinking as
well as some suggestions...

(1) I've uploaded MP files for GAMESS-UK. All that's left is Jaguar,
which I guess Adam will have to look into. Possibly, PC-GAMESS
too...I'll look into that.

(2) I've simplified testMP (no need to overload testsizeandshape and
testchange), and added the tests for GAMESS-UK (which currently fail).

(3) I've added N/P "Not possible" and T/D "to do" to some entries in
the table in "Development Parsed Data" on the wiki. There's more to
add, but it's a start.

(4) Is coreelectrons going to make it into the next release? If so,
we're going to need some tests on it (although there's not a lot to
test really, is there?) and the rest of the boxes checked on the wiki
(only ADF and Gaussian, currently)

(5) I've moved the test code from the end of cda.py to testcda.py.
There's a bug in here somewhere though, as the code fails with an
error (not due to me moving it). Could you look into this Adam? Once
sorted, I rearrange the testcda.py into a more formal unittest.

Regards,
    Noel