elk-8.7.2-2.1 RPM for s390x

From OpenSuSE Ports Tumbleweed for s390x

An all-electron full-potential linearised augmented-plane wave
(FP-LAPW) code with many features. The code is designed to be as
simple as possible so that new developments in the field of density
functional theory (DFT) can be added quickly and reliably.

Provides

• elk
• elk(s390-64)

Requires

• libblas.so.3()(64bit)
• libc.so.6()(64bit)
• libc.so.6(GLIBC_2.2)(64bit)
• libc.so.6(GLIBC_2.34)(64bit)
• libc.so.6(GLIBC_2.4)(64bit)
• libfftw3.so.3()(64bit)
• libfftw3f.so.3()(64bit)
• libgcc_s.so.1()(64bit)
• libgcc_s.so.1(GCC_4.0.0)(64bit)
• libgfortran.so.5()(64bit)
• libgfortran.so.5(GFORTRAN_10)(64bit)
• libgfortran.so.5(GFORTRAN_8)(64bit)
• libgomp.so.1()(64bit)
• libgomp.so.1(GOMP_1.0)(64bit)
• libgomp.so.1(GOMP_4.0)(64bit)
• libgomp.so.1(GOMP_4.5)(64bit)
• libgomp.so.1(OMP_1.0)(64bit)
• libgomp.so.1(OMP_3.0)(64bit)
• liblapack.so.3()(64bit)
• libm.so.6()(64bit)
• libm.so.6(GLIBC_2.2)(64bit)
• libm.so.6(GLIBC_2.29)(64bit)
• libm.so.6(GLIBC_2.38)(64bit)
• libwannier.so()(64bit)
• libxc.so.12()(64bit)
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1
• wannier90-devel

License

GPL-3.0-or-later

Changelog

* Mon Oct 23 2023 Nicolas Morey <nicolas.morey@suse.com>
  - Drop support for obsolete openmpi[123]
* Mon Jan 16 2023 Atri Bhattacharya <badshah400@gmail.com>
  - 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 <badshah400@gmail.com>
  - 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 <badshah400@gmail.com>
  - 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 <badshah400@gmail.com>
  - 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 scorot@free.fr
  - remove conditional BuildRequires for blas and lapack since
    recent lapack now build correctly for all suse version
* Sat Apr 14 2012 badshah400@gmail.com
  - Update BuildRequires in keeping with lapack package changes

Files

/usr/bin/elk
/usr/bin/eos
/usr/bin/spacegroup
/usr/share/doc/packages/elk
/usr/share/doc/packages/elk/README
/usr/share/doc/packages/elk/release_notes.txt
/usr/share/licenses/elk
/usr/share/licenses/elk/COPYING

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Fabrice Bellet, Sat Mar 9 12:50:11 2024