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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.
GPLv2+
* 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
/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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