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quantum-espresso-6.5-1.el7 RPM for x86_64

From EPEL 7 for x86_64 / Packages / q

Name: quantum-espresso Distribution: Fedora Project
Version: 6.5 Vendor: Fedora Project
Release: 1.el7 Build date: Thu Feb 20 04:38:17 2020
Group: Unspecified Build host: buildvm-16.phx2.fedoraproject.org
Size: 252745363 Source RPM: quantum-espresso-6.5-1.el7.src.rpm
Packager: Fedora Project
Url: http://www.quantum-espresso.org/
Summary: A suite for electronic-structure calculations and materials modeling
 
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.

Serial version. Includes iotk executables.

Provides

Requires

License

GPLv2+

Changelog

* Fri Feb 14 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.5-1
  - new upstream release
  - -fallow-argument-mismatch fix for gfortran 10
  - fix serial and parallel test-suite build (use 1 and 2 processors respectively)
* Thu Jan 30 2020 Fedora Release Engineering <releng@fedoraproject.org> - 6.4.1-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
* Fri Jul 26 2019 Fedora Release Engineering <releng@fedoraproject.org> - 6.4.1-2
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
* Fri May 17 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.4.1-1
  - new upstream release
  - kill hanging tests after timeout
  - disable failed architectures: configure fails to find openblas, fftw on other %{openblas_arches} than x86_64 %{ix86}
* Thu Feb 14 2019 Orion Poplawski <orion@nwra.com> - 5.4.0-20
  - Rebuild for openmpi 3.1.3
* Sat Feb 02 2019 Fedora Release Engineering <releng@fedoraproject.org> - 5.4.0-19
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
* Sat Jul 14 2018 Fedora Release Engineering <releng@fedoraproject.org> - 5.4.0-18
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
* Wed May 02 2018 Iryna Shcherbina <shcherbina.iryna@gmail.com> - 5.4.0-17
  - Update Python 2 dependency declarations to new packaging standards
    (See https://fedoraproject.org/wiki/FinalizingFedoraSwitchtoPython3)
* Wed Mar 07 2018 Adam Williamson <awilliam@redhat.com> - 5.4.0-16
  - Rebuild to fix GCC 8 mis-compilation
    See https://da.gd/YJVwk ("GCC 8 ABI change on x86_64")
* Fri Feb 09 2018 Fedora Release Engineering <releng@fedoraproject.org> - 5.4.0-15
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
* Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 5.4.0-14
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
* Thu Jul 27 2017 Fedora Release Engineering <releng@fedoraproject.org> - 5.4.0-13
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
* Sat Feb 11 2017 Fedora Release Engineering <releng@fedoraproject.org> - 5.4.0-12
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild
* Fri Oct 21 2016 Orion Poplawski <orion@cora.nwra.com> - 5.4.0-11
  - Rebuild for openmpi 2.0
* Fri Sep 16 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 5.4.0-10
  - upsteam update
  - speedup the tests by running on single core so koji %{arm} builds finish within the timeout (bug #1356620)
  - get rid of D__XLF and D__LINUX_ESSL on ppc64
* Tue Sep 06 2016 Peter Robinson <pbrobinson@fedoraproject.org> 5.3.0-9
  - Sync openblas ExclusiveArch
* Thu Feb 18 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 5.3.0-8
  - use only 2 cores for tests (bug #1308481)
  - defattr removed
* Sat Feb 13 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 5.3.0-7
  - explicit Requires are needed for scalapack, blacs on el6 (bug #1301922)
* Thu Feb 04 2016 Fedora Release Engineering <releng@fedoraproject.org> - 5.3.0-6
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
* Tue Jan 12 2016 Marcin Dulak <Marcin.Dulak@gmail.com> 5.3.0-5
  - upsteam update
  - switch to test-suite
  - no more upftools?
* Mon Jan 04 2016 Marcin Dulak <Marcin.Dulak@gmail.com> 5.2.1-4
  - disable compilation warnings
  - use lua for copying pseudos
  - removed common package
* Sat Dec 19 2015 Marcin Dulak <Marcin.Dulak@gmail.com> 5.2.1-3
  - fix ExclusiveArch
  - license is GPLv2+
  - OMP_NUM_THREADS removed
  - use %{optflags}
* Fri Dec 18 2015 Dave Love <loveshack@fedoraproject.org> - 5.2.1-2
  - Require %{name}-common, not %{name}-common%{?_isa}
* Wed Dec 16 2015 Marcin Dulak <Marcin.Dulak@gmail.com> 5.1.2-1
  - initial build

Files

/usr/bin/alpha2f.x
/usr/bin/average.x
/usr/bin/bands.x
/usr/bin/benchmark_libxc.x
/usr/bin/bse_main.x
/usr/bin/casino2upf.x
/usr/bin/cell2ibrav.x
/usr/bin/cp.x
/usr/bin/cpmd2upf.x
/usr/bin/cppp.x
/usr/bin/dist.x
/usr/bin/dos.x
/usr/bin/dynmat.x
/usr/bin/epa.x
/usr/bin/epsilon.x
/usr/bin/ev.x
/usr/bin/extract_core.x
/usr/bin/fd.x
/usr/bin/fd_ef.x
/usr/bin/fd_ifc.x
/usr/bin/fermi_proj.x
/usr/bin/fermi_velocity.x
/usr/bin/fhi2upf.x
/usr/bin/fix_upf.x
/usr/bin/fpmd2upf.x
/usr/bin/fqha.x
/usr/bin/fs.x
/usr/bin/gww.x
/usr/bin/gww_fit.x
/usr/bin/head.x
/usr/bin/hp.x
/usr/bin/ibrav2cell.x
/usr/bin/initial_state.x
/usr/bin/interpolate.x
/usr/bin/iotk
/usr/bin/iotk.x
/usr/bin/iotk_print_kinds.x
/usr/bin/kpoints.x
/usr/bin/lambda.x
/usr/bin/ld1.x
/usr/bin/manycp.x
/usr/bin/manypw.x
/usr/bin/matdyn.x
/usr/bin/molecularnexafs.x
/usr/bin/molecularpdos.x
/usr/bin/ncpp2upf.x
/usr/bin/neb.x
/usr/bin/oldcp2upf.x
/usr/bin/open_grid.x
/usr/bin/path_interpolation.x
/usr/bin/ph.x
/usr/bin/phcg.x
/usr/bin/plan_avg.x
/usr/bin/plotband.x
/usr/bin/plotproj.x
/usr/bin/plotrho.x
/usr/bin/pmw.x
/usr/bin/pp.x
/usr/bin/ppacf.x
/usr/bin/projwfc.x
/usr/bin/pw.x
/usr/bin/pw2bgw.x
/usr/bin/pw2critic.x
/usr/bin/pw2gw.x
/usr/bin/pw2wannier90.x
/usr/bin/pw4gww.x
/usr/bin/pwcond.x
/usr/bin/pwi2xsf.x
/usr/bin/q2qstar.x
/usr/bin/q2r.x
/usr/bin/q2trans.x
/usr/bin/q2trans_fd.x
/usr/bin/read_upf_tofile.x
/usr/bin/rrkj2upf.x
/usr/bin/simple.x
/usr/bin/simple_bse.x
/usr/bin/simple_ip.x
/usr/bin/spectra_correction.x
/usr/bin/sumpdos.x
/usr/bin/turbo_davidson.x
/usr/bin/turbo_eels.x
/usr/bin/turbo_lanczos.x
/usr/bin/turbo_spectrum.x
/usr/bin/upf2casino.x
/usr/bin/uspp2upf.x
/usr/bin/vdb2upf.x
/usr/bin/virtual_v2.x
/usr/bin/wannier_ham.x
/usr/bin/wannier_plot.x
/usr/bin/wfck2r.x
/usr/bin/wfdd.x
/usr/bin/xspectra.x
/usr/share/licenses/quantum-espresso-6.5
/usr/share/licenses/quantum-espresso-6.5/License

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Fabrice Bellet, Tue Apr 30 02:20:23 2024