...still buggy and very incomplete.

The new test does not pass yet but it might already work.

Two changes:

1. Specify Wannier90 1.2 in the wann_inp file.
2. Adapt some array copy to the actual dimensions. ...this was a problem in the debug version.

The bug was introduced in commit 62285e99.

Thanks to Patrick for pointing out that there was a bug.

...as suggested by Bernd + Stefan

...also in this commit: Some minor cleanup

get wann_setup interface working for wannier 1.1/2 and 2.0 with wan90version input in the most brutal way by copying the wann_postproc_setup again and adjusting the interface

add old commit from frank treating problem:  Included lmax into the argument lists of wann_mmk0_sph.f and wann_mmk0_updown_sph.f. Use lmax(n) instead of lmaxd to restrict angular momentum summations. Without this bugfix sometimes NAN pops up in the rspauli.1 file if there is more than one atom type in the unit cell and the lmax of the various atom types are different

get updown working with updated wann_mmk0_updown_sph file from frank and avoiding some double allocations

fleur.F90 wannier call should put l_real=.false. also if l_soc is true; wannier.F allocations of zmat*%z_* should only be done one<- bug due to 110 spin loop

Due to the Fleur behavior change in commit 075d7301
it did not work any more. The old input file now only supports LDA+U with
Broyden mixing. No straight mixing of the density matrix is supported with
the old inp file.

Modified the dump of /proc/self/status at the end of the run
Modified debugtime output

...this surely is not yet the final version.

Included SCALAPACK in intel-build to allow parallel tests

..also in this commit: slight cleanup in mix/metric.f90

Daniel complained that valgrind complained. But that was not on my machine.
Therefore I can only hope that this fixes the problem.

The fixed bug was the ignoring of the ldaU XML element if the version number
of the inp.xml file was not 0.29. For the NiO_ldauXML test this meant that
no linear mixing was used for the density matrix.

Please note that there are still slight differences between the results
obtained with this version and the last release version. I changed the
reference value for the total energy from -3191.9717 to -3191.9707.

...there was a missing initialization if no cdn.hdf file was used.

Note: Also in this commit:

1. Changed test values in NiO_ldauXML test since now the broyden files get deleted
   when a new density matrix is generated
2. The NiO_ldau test should not work any more since linear mixing for the density
   matrix is removed for the old inp file. (It is not specified in the n_mmp_mat
   file any more)