Changelog for elk-8.7.2-2.3.x86_64.rpm :

* Mon Oct 23 2023 Nicolas Morey - Drop support for obsolete openmpi[123]
* Mon Jan 16 2023 Atri Bhattacharya - Update to version 8.7.2:
* Fixed problem of writing TDDFT density of states with wrtdsk=.false.
* Fixed problem of restarting from TDDFT backup files.
* Removed an OpenMP regression which cause substantial slow-down of TDDFT.
* Added more documentation.
* Minor optimisations and bug fixes.
* Tue Dec 20 2022 Atri Bhattacharya - Adjust wannier90-devel dependencies so as to build against its correct openmpi flavour and avoid degeneracy between its multiple openmpi flavours when installing.- Add rpmlintrc file to suppress false positives that cannot be fixed/worked around:
* openmpi-libs Requires: necessary for multiple openmpi flavours.
* Requires: wannier90-devel (or its appropriate openmpi flavour in keeping with the first entry of this changeset.
* Wed Dec 14 2022 Atri Bhattacharya - Update to version 8.6.7:
* Added dynamical Born effective charges (dynBEC).
* Included a dynBEC example of hexagonal boron nitride.
* Fixed a problem with spin-unpolarised DFT+U calculations.
* Updated to Libxc version 6.
* Changed to single-precision orbitals in many routines.
* Removed the bundled BLAS/LAPACK and FFTPACK libraries.- Adapt configuration of make.inc to conform to new version.- Run tests as part of %check.
* Fri Dec 09 2022 Atri Bhattacharya - Update to version 8.5.10:
* Improved OpenMP parallelism.
* Added variables to VARIABLES.OUT which are written on completion of geometry optimisation, for example \'engytot (geomopt)\'.
* Adjusted several default parameters.- Drop sources/patches that are no longer used:
* make.inc.bz2: make.inc is now generated in specfile
* usefftw3.patch.bz2: upstream make.defs takes care of this
* Makefile_src.patch.bz2: outdated and not needed any more.- Switch to multibuild for multiple openmpi flavours, plus non- mpi flavour, common data, utilities, etc.- New BuildRequires: pkgconfig(libxc), pkgconfig(wannier).- Numerous specfile cleanups.
* Fri May 11 2012 scorotAATTfree.fr- remove conditional BuildRequires for blas and lapack since recent lapack now build correctly for all suse version
* Sat Apr 14 2012 badshah400AATTgmail.com- Update BuildRequires in keeping with lapack package changes