GitLab

inputSchema.h is no longer in git. Instead it is generated on the fly from cmake out of FleurInputSchema.xsd.

...together with Miriam Hinzen.

Also in this commit: Slight beautification of the configure script output for ChASE.

The user is responsible for providing the required paths and libraries.

ChASE needs several libraries to be available to work.
This includes MPI, LAPACK, LIBSTDC++.

My way to let the ChASE test succeed at the moment is to invoke
the configure script with

FLEUR_LIBRARIES="-L**PATH_TO:libchase_fleur.a**;-lchase_fleur;-lstdc++" ./fleur/configure.sh IFF

...test built together with Miriam.

+more cleanup

Changed layout of types, added first implementation of forcetheorem-type for MAE (test still missing)