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

Michael Banck mbanck at debian.org
Mon Jan 15 15:41:22 UTC 2018


Hi Sebastian,

On Mon, Jan 15, 2018 at 04:30:13PM +0100, Sebastian Wouters wrote:
> 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?


Michael



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