| AArch64 | |
| ppc64le | |
| s390x | |
| x86-64 |
- Drop support for obsolete openmpi[123]
- 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.
- 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.
- 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.
- 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* Makefile_src.patch.bz2: outdated and not needed any more.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.
- remove conditional BuildRequires for blas and lapack since recent lapack now build correctly for all suse version
- Update BuildRequires in keeping with lapack package changes