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

[Sebastian Wouters]

Hi Michael,

Did you already have chance to take a look?

Best regards,
Sebastian


2014-11-30 0:02 GMT-05:00 Sebastian Wouters <sebastianwouters at gmail.com>:
>
> Hi Michael,
>
> The git repository is online:
> http://anonscm.debian.org/cgit/debichem/packages/libchemps2.git
>
> I discovered this afternoon that CMake provides an easy way to create a
> "make test" target (with CTest). I've added it upstream and to the debichem
> libchemps git repo.
>
> And it's also possible now to use an entry in DEB_BUILD_OPTIONS {nocheck,
> partialcheck (actually anything that doesn't contain nocheck or fullcheck),
> fullcheck} to switch between test sets:
>
> http://anonscm.debian.org/cgit/debichem/packages/libchemps2.git/tree/debian/rules
> The fullcheck takes 913 seconds on two cores, and the partialcheck 56
> seconds.
>
> Who do I best contact to inform about the python interface?
>
> Thank you for your help so far!
>
> Best regards,
> Sebastian
>
>
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