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| Name: quantum-espresso | Distribution: SUSE Linux Enterprise 15 SP5 |
| Version: 5.1.2 | Vendor: openSUSE |
| Release: bp155.2.40 | Build date: Mon May 22 13:28:18 2023 |
| Group: Productivity/Scientific/Physics | Build host: obs-power8-04 |
| Size: 105004813 | Source RPM: quantum-espresso-5.1.2-bp155.2.40.src.rpm |
| Packager: https://bugs.opensuse.org | |
| 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.
GPL-2.0
* Thu Aug 06 2015 normand@linux.vnet.ibm.com
- Two new patches to build ppc64/ppc64le archi
(not yet upstream)
quantum_espresso_add_ppc64le_archi_to_configure.patch
quantum_espresso_do_not_set_xlf_for_powerpc.patch
* Sat Mar 14 2015 p.drouand@gmail.com
- Update to version 5.2.1
* No changelog available
- Use download Url as source
- Remove espresso-5.0.2-no-return-in-nonvoid-function.patch; fixed
on upstream release
- Update espresso-5.0.2-implicit-pointer-decl.patch >
espresso-implicit-pointer-decl.patch
- Add xspectra-5.2.1.tar.gz; needed to build package
- TODO file doesn't exist anymore
- Copy README into the package
* Fri May 02 2014 dmitry_r@opensuse.org
- Fix finging of duplicate files in documentation
* Wed Apr 30 2014 dmitry_r@opensuse.org
- Rename package to quantum-espresso to avoid conflict with espresso
* Thu May 23 2013 scorot@free.fr
- first package
- Fix GCC warnings
* espresso-5.0.2-implicit-pointer-decl.patch
* espresso-5.0.2-no-return-in-nonvoid-function.patch
/usr/bin/qe_average.x /usr/bin/qe_band_plot.x /usr/bin/qe_bands.x /usr/bin/qe_bands_FS.x /usr/bin/qe_bgw2pw.x /usr/bin/qe_cp.x /usr/bin/qe_cppp.x /usr/bin/qe_d3.x /usr/bin/qe_dist.x /usr/bin/qe_dos.x /usr/bin/qe_dynmat.x /usr/bin/qe_epsilon.x /usr/bin/qe_ev.x /usr/bin/qe_fd.x /usr/bin/qe_fd_ef.x /usr/bin/qe_fd_ifc.x /usr/bin/qe_fqha.x /usr/bin/qe_generate_rVV10_kernel_table.x /usr/bin/qe_generate_vdW_kernel_table.x /usr/bin/qe_initial_state.x /usr/bin/qe_iotk.x /usr/bin/qe_iotk_print_kinds.x /usr/bin/qe_kpoints.x /usr/bin/qe_kvecs_FS.x /usr/bin/qe_lambda.x /usr/bin/qe_ld1.x /usr/bin/qe_manypw.x /usr/bin/qe_matdyn.x /usr/bin/qe_molecularpdos.x /usr/bin/qe_neb.x /usr/bin/qe_path_interpolation.x /usr/bin/qe_ph.x /usr/bin/qe_phcg.x /usr/bin/qe_plan_avg.x /usr/bin/qe_plotband.x /usr/bin/qe_plotproj.x /usr/bin/qe_plotrho.x /usr/bin/qe_pmw.x /usr/bin/qe_pp.x /usr/bin/qe_projwfc.x /usr/bin/qe_pw.x /usr/bin/qe_pw2bgw.x /usr/bin/qe_pw2gw.x /usr/bin/qe_pw2wannier90.x /usr/bin/qe_pw_export.x /usr/bin/qe_pwcond.x /usr/bin/qe_pwi2xsf.x /usr/bin/qe_q2qstar.x /usr/bin/qe_q2r.x /usr/bin/qe_q2trans.x /usr/bin/qe_q2trans_fd.x /usr/bin/qe_sumpdos.x /usr/bin/qe_turbo_davidson.x /usr/bin/qe_turbo_lanczos.x /usr/bin/qe_turbo_spectrum.x /usr/bin/qe_wannier_ham.x /usr/bin/qe_wannier_plot.x /usr/bin/qe_wfck2r.x /usr/bin/qe_wfdd.x /usr/bin/qe_xspectra.x /usr/share/doc/packages/quantum-espresso /usr/share/doc/packages/quantum-espresso/License /usr/share/doc/packages/quantum-espresso/README
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