Re: [cclib-devel] Moving towards release

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

> > I cleaned out my cclib installation, and then re-installed from trunk
> > (rev. 522). I didn't get any errors from testcda.py. Can you post the
> > errors you get?
> Will do. Might be something weird at my end.

I've just done the same as you did, but the error remains. Might be
something to do with Numeric versions??

C:\Documents and Settings\AvrilNoel\Desktop\cclib\test>python testcda.py
[CDA Gaussian log file ..\data\Gaussian\CDA\BH3CO-sp.log INFO] Creating attribut
e fonames[]
[CDA Gaussian log file ..\data\Gaussian\CDA\BH3CO-sp.log INFO] Creating mocoeffs
 in new fragment MO basis: mocoeffs[]
[CDA Gaussian log file ..\data\Gaussian\CDA\BH3CO-sp.log INFO] Creating fooverla
ps: array[x,y]
[CDA Gaussian log file ..\data\Gaussian\CDA\BH3CO-sp.log INFO] Creating donation
s, bdonations, and repulsions: array[]
Traceback (most recent call last):
  File "testcda.py", line 19, in ?
    fa.calculate([parser2, parser3])
  File "C:\Python24\Lib\site-packages\cclib\method\cda.py", line 82, in calculat
e
    donations[spin][i] += occs * self.mocoeffs[spin][i,k] \
TypeError: return array has incorrect type

C:\Documents and Settings\AvrilNoel\Desktop\cclib\test>python
Python 2.4.3 - Enthought Edition 1.0.0 (#69, Aug  2 2006, 12:09:59) [MSC v.1310
32 bit (Intel)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> import Numeric
>>> Numeric.__version__
'24.2'
>>> ^Z

Noel