[Kalzium] Proposal : use GSL/GSL-- for the linear algebra stuff
geoff at geoffhutchison.net
Wed Jul 26 22:20:20 CEST 2006
On Jul 26, 2006, at 2:41 PM, Benoît Jacob wrote:
> after receiving many suggestions, especially in comments on
> Carsten's blog,
> and also googling a lot, I evaluated several linear algebra
> packages, and my
> feeling is that we should use GSL, the GNU Scientific Library:
> The only drawback of GSL is that it's C-only. Fortunately, there
> are some C++
> wrappers for GSL out there. The one that looks most promising and
> developed is GSL--:
I do agree that GSL is a great library, is actively and carefully
maintained, and has *way* more than we might want. I hadn't heard
about GSL--, but that sounds like a good approach.
> 4) Propose to OpenBabel patches turning the vector3, matrix3x3, ...
> into wrappers around GSL-- stuff.
I think it's a great idea and I'd be open to "convenience" functions
for math routines on top of another library. I suspect this is a
better effort after 2.1 is released this fall and could be part of a
3.0 effort. (I'd certainly push for more use of Boost and other core
libraries in Open Babel 3.0 development.)
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