[Debichem-devel] Bug#887104: chemps2: bug fix #887104 and transition to python3

[Sebastian Wouters]

Hi Michael and Lori,

> I recall that the folder containing CheMPS2Conf*.cmake also contains an
> > HDF5 cmake file, if I'm not mistaken.
>
> Ah right.
>
> > Perhaps augmenting the file debian/libchemps2-dev.install with this HDF5
> > cmake file helps?
>
> Yeah, I've changed the line in debian/libchemps2-dev.install to ship all
> the *.cmake files in debian/tmp/usr/share/cmake/CheMPS2, and now Psi4
> seems to find CheMPS2:
>
> -- Found TargetHDF5: Found HDF5:
> /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/
> lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-
> linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/
> lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so
> (found version 1.10.0.1) (found suitable exact version "1.10.0.1")
> -- Found CheMPS2: /usr/lib/x86_64-linux-gnu/libchemps2.so.2 (found
> version 1.8.5)
>
> I'm wondering how legit this sort of cmakeification is, though.
>
> Maybe somebody more versed in cmake than I am can comment whether the
> /usr/share/cmake/CheMPS2 drectory/namespace avoids cmake from using that
> TargetHDF5 file for other packages as well?
>

I've included Lori Burns from the psi4 project in the thread. She is
exceptionally well-versed in cmake, and actually provided the CheMPS2 and
HDF5 *.cmake files in the above noted folder. I hope she can comment.

@lori: The full discussion can be followed at
https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=887104

Thanks!

Sebastian
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.alioth.debian.org/pipermail/debichem-devel/attachments/20180115/2381e3d3/attachment-0001.html>