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

