[Debichem-devel] RFS: libchemps2/1.4-1 -- spin-adapted DMRG for ab initio quantum chemistry

[Sebastian Wouters]

Hi Michael,

And likewise I would like to thank you for all your help, and your patience
with a debian noob like me :-). I must say the documentation [
https://www.debian.org/doc/manuals/maint-guide/] is *very* good.

I'm willing to integrate the debian chemps2 installation into the psi4
package. It should be fairly easy though as they already did all the work.
The file
https://github.com/psi4/psi4public/blob/master/cmake/FindCHEMPS2.cmake
allows to specify a custom chemps2 build/installation (as far as I
understand) and psi4 then should skip the tarball download and the
installation (I assume).

I've included Lori Burns in this mail in CC as she's the psi4 build expert.
I hope she's willing to help us out (She also wrote the file
FindCHEMPS2.cmake).

Lori might also be able to give more info on a planned release date for
alpha / 1.0.0.

Best wishes,
Seb

2015-06-20 10:11 GMT-04:00 Michael Banck <mbanck at debian.org>:

> Hi Sebastian,
>
> I've uploaded it now, thanks for your work and sorry it took so long!
>
> Once it is past NEW, are you interested in integrated it into the psi4
> package?  I think uploading a current git snapshot to experimental would
> be ok, but for unstable I'd like to wait for another beta or final
> release.
>
>
> Michael
>
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