Hi Travis,
I would very happily accept the Scientific and MMTK patches. Thank you very much for the offer.
I hadn't thought much about it until very recently, when the advent of a new IT structure in our laboratory forced me to upgrade my existing software. It was then that it became obvious that the LAPACK routines called by Numeric and MMTK were refusing to work. I've spent the day trying to wrestle with the problem (I am by no means an expert). I finally decided to get around the problems by altering the problem-solving routines in MMTK by using routines from numpy and then immediately applying a= Numeric.array(a.tolist()), which has stopped my script from gagging (although I have still to demonstrate to myself that everything is working). The uses to which I apply MMTK usually mean that the matrices in question are pretty small, so I don't have to worry too much about speed.
I was suprised to note, however, that a straightforward application of F2PY to some fresh downloaded LAPACK F77 code did not work, and sent my machine into a similar endless whirr as I had seen at the beginning of the day. Apparently there's something sinister going on...
Cheers,
Seth
On 9/19/06, Travis Oliphant <[EMAIL PROTECTED]> wrote:
Dr. Seth Olsen wrote:
>
> Hi Bill,
>
> MMTK has not made the conversion over to the new numpy module. It is
> built against the old Numeric code, and the word from its developers
> is that changing to numpy cannot be a priority now.
>
My suggestion is to *kindly* put pressure on them.
I've spent at least a hundred hours making it easy for people to port
Numeric and Numarray-built code to NumPy. Because of this, I'm a
little bit frustrated by this kind of response. I understand it will
take time for people to migrate, but it really does not take that long
to port code to use NumPy.
I've offered to do it for any open source code. In fact, I just spent
30 minutes and ported both Scientific Python and MMTK to use numpy.
I'll send you a patch if you want. It is true, that the result needs
to be better tested, but I'm confident that any errors which might
remain in the compatibility layer will be easily fixable (and we need
people who are willing to do the tests to fix them).
I'd rather not do this, but if necessary we can easily create an SVN
tree of third-party packages ported to use NumPy if the package-owners
are not willing to do it. Keeping Numeric packages around except for
legacy systems will only make things harder.
I'll repeat the same offer I've made before: I will gladly give my book
and my help to any open source library author who will make porting to
NumPy a priority for their package. Note, however, my (free) ports to
use NumPy do not use any "numerix-style" layer. The library is
converted to work with NumPy alone. In other words, I won't spend any
more "spare" time supporting 3 array packages.
Best regards,
-Travis
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Dr Seth Olsen, PhD
Postdoctoral Fellow, Biomolecular Modeling Group
Centre for Computational Molecular Science
Australian Institute for Bioengineering and Nanotechnology (Bldg. 75)
The University of Queensland
Qld 4072, Brisbane, Australia
tel (617) 3346 3976
fax (617) 33654623
email: [EMAIL PROTECTED]
Web: www.ccms.uq.edu.au
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The opinions expressed here are my own and do not reflect the positions of the University of Queensland.
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