[Fsatom-comm] FSAtom
Konrad Hinsen
fsatom-comm@www.tddft.org
Wed, 5 Feb 2003 09:56:02 +0100
On Tuesday 04 February 2003 23:53, Miguel Marques wrote:
> fairly simple to use (for what I see, I never tried it), but is heavily
> based on structures and trees. Even though Fortran 90 has structures and
> pointers, I do not think we can easily interface it with F90 (padding in
> structures, etc, is probably not consistent with C). I can do a couple of
> tests to try it out.
The mapping of F90 structures to C structures is compiler dependent. If you
care at all about portability, forget this idea.
> I think that is a bad idea to do the I/O in Python. One can not assume
> that people are willing to use Python (after all this is a free world ;))
I don't see any need for everybody to agree on such implementation issues.
However, I suppose natural selection will favour those who do I/O in Python,
because is it so much easier.
> and we should decide upon a fairly universal interface (i.e. C, with
> bindings to Fortran)
You will have to choose between
1) C
2) F90
3) a common interface that doesn't use structures
I don't think any of these wil make everybody happy. The other solution is to
write an XML parser in Fortran 90. That is certainly possible, just a lot of
work.
Konrad.
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