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quantum-espresso-doc-6.8-3.3 RPM for x86_64

From OpenSuSE Tumbleweed for x86_64

Name: quantum-espresso-doc Distribution: openSUSE Tumbleweed
Version: 6.8 Vendor: openSUSE
Release: 3.3 Build date: Mon Oct 23 14:06:05 2023
Group: Documentation/Other Build host: reproducible
Size: 1715237 Source RPM: quantum-espresso-6.8-3.3.src.rpm
Packager: https://bugs.opensuse.org
Url: http://www.quantum-espresso.org
Summary: Documentation files for Quantum Espresso
 
This package contains the documentation files for Quantum Espresso.

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for
electronic-structure calculations and materials modeling at the nanoscale.
It is based on density-functional theory, plane waves, and pseudopotentials.

Provides

Requires

License

GPL-2.0-only

Changelog

* Mon Oct 23 2023 Nicolas Morey <nicolas.morey@suse.com>
  - Drop support for obsolete openmpi[123]
  - Prepare support for openmpi5
* Thu Sep 01 2022 Atri Bhattacharya <badshah400@gmail.com>
  - Add quantum-espresso-rpmlintrc file to disable false positives
    about executable stacks in binaries.
  - Parallel make leads to race issues causing build failures;
    enforce -j1 when running %make_build.
* Sun Nov 21 2021 Atri Bhattacharya <badshah400@gmail.com>
  - Update to version 6.8:
    * See release notes here:
      <https://gitlab.com/QEF/q-e/-/tags/qe-6.8>.
  - Drop backports-6.4.1.git-diff: incorporated upstream.
  - Add quantum-espresso-devxlib-no-download.patch: Patch to avoid
    downloading devxlib from the web; we supply it as an additional
    source instead.
  - Add devxlib as an additional source and copy it to dir where
    quantum-espresso build expects.
  - Add openmpi4 as multibuild flavor.
  - Drop mvapich2 multibuild flavor, not well supported and builds
    fail.
  - Hack-ish work-arounds to prevent build failures all around
    (locally checked that tests work; but they need further
    downloads and hacks, and is best avoided within the build system
    itself):
    * Turn off errors on return-type warnings in %optflags.
    * Allow compilation to proceed despite minor rank mis-matches by
      passing -fallow-argument-mismatch as an additional flag to
      fortran compiler (for GCC >= 10 only).
    * Explicitly pass blas, lapack, and fftw3 library flags to
      configure; otherwise the build tried to build each of these
      internally; for fftw3 use parallel or serial library depending
      on mulbuild flavor.
  - Link against scalapack for parallel build flavors.
* Mon Feb 10 2020 Stefan Brüns <stefan.bruens@rwth-aachen.de>
  - Add missing Provides/Obsoletes for renamed openmpi1 package.
  - Avoid overriding ExclusiveArch for disabled flavors.
  - Cleanup spec file, use same patterns as other MPI packages.
* Wed Jan 29 2020 Atri Bhattacharya <badshah400@gmail.com>
  - Remove duplicated definitions.
  - Remove bogus undefines of suffix and mpi_flavor for "serial"
    flavour. The former causes builds to fail for openSUSE >= 1550
    using rpm >= 4.15.
* Thu Nov 07 2019 Atri Bhattacharya <badshah400@gmail.com>
  - Use multibuild to build different mpi (mvapich2, openmpi1,
    openmpi2, and openmpi3) and serial versions.
* Thu Nov 07 2019 Atri Bhattacharya <badshah400@gmail.com>
  - Add backports-6.4.1.git-diff: Backported fixes for version
    6.4.1 from upstream:
    * Bug in spin-polarized meta-GGA
    * Unphysical fractional translations (tau/n with n/=2,3,4,6)
      were not explicitly discarded, thus leading in unfortunate
      cases to strange values for FFT factors and grids. Also: if
      "nosym" is true, inversion symmetry flag (invsym) and info on
      FFT factors (fft_fact) must also be reset
    * PPACF wasn't working any longer in v.6.4 and 6.4.1 for nspin=2
      and for hybrid functionals
    * option "write_unkg" of pw2wannier90.f90 wasn't working as
      expected
    * Input parameters (for restarting DFPT+U calculations)
      read_dns_bare and d2ns_type were missing in the PH input
      namelist, and moreover they were not broadcasted.
* Thu Nov 07 2019 Atri Bhattacharya <badshah400@gmail.com>
  - Update to version 6.4.1:
    * A warning is issued if the lattice parameter seems to be a
      conversion factor instead of a true lattice parameter.
    * A warning is issued if ibrav=0 is used for systems having
      symmetry.
    * [HP] the code was not working correctly when fractional
      translations were present
    * [HP] there was a bug in the case when either there is only one
      k point, or when k pools are used and some of the pools have
      only one k point.
    * Restart of ph.x with 2D boundary conditions has been fixed
      (see gitlab issue #102 (closed))
    * XML file correctly written if tetrahedra are used (see gitlab
      issue #103 (closed))
  - Major changes since last packaged version including backward
    incomaptible changes: See
    * https://gitlab.com/QEF/q-e/-/tags/qe-6.0.0
    * https://gitlab.com/QEF/q-e/-/tags/qe-6.1.0
    * https://gitlab.com/QEF/q-e/-/tags/qe-6.2.0
    * https://gitlab.com/QEF/q-e/wikis/Releases/Quantum-Espresso-6.3-Release-Notes
    * https://gitlab.com/QEF/q-e/wikis/Releases/Quantum-Espresso-6.4-Release-Notes
  - Drop patches no longer compatible or needed with updated
    version:
    * quantum_espresso_do_not_set_xlf_for_powerpc.patch
    * quantum_espresso_add_ppc64le_archi_to_configure.patch
    * espresso-implicit-pointer-decl.patch
* Thu Nov 07 2019 Atri Bhattacharya <badshah400@gmail.com>
  - Fix unresolvable status for openSUSE < 1550 where openmpi1 is
    still called openmpi.
* Fri Nov 01 2019 Atri Bhattacharya <badshah400@gmail.com>
  - openmpi has been renamed to openmpi1; adapt BuildRequires and
    file list accordingly.

Files

/usr/share/doc/packages/quantum-espresso-doc
/usr/share/doc/packages/quantum-espresso-doc/CMakeLists.txt
/usr/share/doc/packages/quantum-espresso-doc/ChangeLog.cp
/usr/share/doc/packages/quantum-espresso-doc/ChangeLog.old
/usr/share/doc/packages/quantum-espresso-doc/ChangeLog.pw
/usr/share/doc/packages/quantum-espresso-doc/Makefile
/usr/share/doc/packages/quantum-espresso-doc/README
/usr/share/doc/packages/quantum-espresso-doc/brillouin_zones.tex
/usr/share/doc/packages/quantum-espresso-doc/constraints_HOWTO.tex
/usr/share/doc/packages/quantum-espresso-doc/html.sty
/usr/share/doc/packages/quantum-espresso-doc/images
/usr/share/doc/packages/quantum-espresso-doc/images/bcc_bi.png
/usr/share/doc/packages/quantum-espresso-doc/images/bco_1.png
/usr/share/doc/packages/quantum-espresso-doc/images/bco_2.png
/usr/share/doc/packages/quantum-espresso-doc/images/bco_3.png
/usr/share/doc/packages/quantum-espresso-doc/images/bco_4.png
/usr/share/doc/packages/quantum-espresso-doc/images/bco_5.png
/usr/share/doc/packages/quantum-espresso-doc/images/bco_6.png
/usr/share/doc/packages/quantum-espresso-doc/images/cubic_bi.png
/usr/share/doc/packages/quantum-espresso-doc/images/fcc_bi.png
/usr/share/doc/packages/quantum-espresso-doc/images/fcc_sc.png
/usr/share/doc/packages/quantum-espresso-doc/images/hex.png
/usr/share/doc/packages/quantum-espresso-doc/images/monob.png
/usr/share/doc/packages/quantum-espresso-doc/images/monoc.png
/usr/share/doc/packages/quantum-espresso-doc/images/ofc_1.png
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/usr/share/doc/packages/quantum-espresso-doc/images/ofco_1.png
/usr/share/doc/packages/quantum-espresso-doc/images/ofco_2.png
/usr/share/doc/packages/quantum-espresso-doc/images/so.png
/usr/share/doc/packages/quantum-espresso-doc/images/st.png
/usr/share/doc/packages/quantum-espresso-doc/images/stc1.png
/usr/share/doc/packages/quantum-espresso-doc/images/stc2.png
/usr/share/doc/packages/quantum-espresso-doc/images/stc2_sc.png
/usr/share/doc/packages/quantum-espresso-doc/images/tri_1.png
/usr/share/doc/packages/quantum-espresso-doc/images/tri_2.png
/usr/share/doc/packages/quantum-espresso-doc/pic
/usr/share/doc/packages/quantum-espresso-doc/pic/hh_fes.pdf
/usr/share/doc/packages/quantum-espresso-doc/pic/sn2_fes.pdf
/usr/share/doc/packages/quantum-espresso-doc/pic/sn2_reaction.pdf
/usr/share/doc/packages/quantum-espresso-doc/pic/sn2cv.pdf
/usr/share/doc/packages/quantum-espresso-doc/pic/sn2cvs.pdf
/usr/share/doc/packages/quantum-espresso-doc/plumed_quick_ref.tex
/usr/share/doc/packages/quantum-espresso-doc/quantum_espresso.png
/usr/share/doc/packages/quantum-espresso-doc/quote.tex
/usr/share/doc/packages/quantum-espresso-doc/release-notes
/usr/share/doc/packages/quantum-espresso-doc/user_guide.tex

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Fabrice Bellet, Mon Apr 29 23:32:05 2024