quantum-espresso-5.1.2-2.16.x86_64.rpm


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Description

quantum-espresso - A suite for electronic-structure calculations and materials modeling

Property Value
Distribution openSUSE Tumbleweed
Repository openSUSE Oss all
Package filename quantum-espresso-5.1.2-2.16.x86_64.rpm
Package name quantum-espresso
Package version 5.1.2
Package release 2.16
Package architecture x86_64
Package type rpm
Category Productivity/Scientific/Physics
Homepage http://www.quantum-espresso.org
License GPL-2.0
Maintainer -
Download size 11.60 MB
Installed size 102.99 MB
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.

Alternatives

Package Version Architecture Repository
quantum-espresso-5.1.2-10.313.x86_64.rpm 5.1.2 x86_64 Science
quantum-espresso-5.1.2-10.313.i586.rpm 5.1.2 i586 Science
quantum-espresso-5.1.2-2.16.i586.rpm 5.1.2 i586 openSUSE Oss
quantum-espresso - - -

Requires

Name Value
libblas.so.3()(64bit) -
libc.so.6(GLIBC_2.14)(64bit) -
libfftw3.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_8)(64bit) -
liblapack.so.3()(64bit) -
libm.so.6()(64bit) -
libm.so.6(GLIBC_2.2.5)(64bit) -
libpthread.so.0()(64bit) -
libpthread.so.0(GLIBC_2.2.5)(64bit) -

Provides

Name Value
quantum-espresso = 5.1.2-2.16
quantum-espresso(x86-64) = 5.1.2-2.16

Download

Type URL
Mirror widehat.opensuse.org
Binary Package quantum-espresso-5.1.2-2.16.x86_64.rpm
Source Package quantum-espresso-5.1.2-2.16.src.rpm

Install Howto

Install quantum-espresso rpm package:

# zypper install quantum-espresso

Files

Path
/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/License
/usr/share/doc/packages/quantum-espresso/README

Changelog

2015-08-06 - 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
2015-03-14 - 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
2014-05-02 - dmitry_r@opensuse.org
- Fix finging of duplicate files in documentation
2014-04-30 - dmitry_r@opensuse.org
- Rename package to quantum-espresso to avoid conflict with espresso
2013-05-23 - 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

See Also

Package Description
quantum-espresso-doc-5.1.2-2.16.i586.rpm Documentation files for Quantum Espresso
quantum-espresso-doc-5.1.2-2.16.x86_64.rpm Documentation files for Quantum Espresso
quantum-espresso-openmpi-5.1.2-2.16.i586.rpm A suite for electronic-structure calculations and materials modeling
quantum-espresso-openmpi-5.1.2-2.16.x86_64.rpm A suite for electronic-structure calculations and materials modeling
quassel-base-0.13.1-2.1.i586.rpm Base files for the Quassel IRC client
quassel-base-0.13.1-2.1.x86_64.rpm Base files for the Quassel IRC client
quassel-client-0.13.1-2.1.i586.rpm KDE client for the Quassel IRC client
quassel-client-0.13.1-2.1.x86_64.rpm KDE client for the Quassel IRC client
quassel-client-qt5-0.13.1-2.1.i586.rpm Qt5 client for the Quassel IRC client
quassel-client-qt5-0.13.1-2.1.x86_64.rpm Qt5 client for the Quassel IRC client
quassel-core-0.13.1-2.1.i586.rpm Core program for the Quassel IRC client
quassel-core-0.13.1-2.1.x86_64.rpm Core program for the Quassel IRC client
quassel-mono-0.13.1-2.1.i586.rpm Standalone client for the Quassel IRC client
quassel-mono-0.13.1-2.1.x86_64.rpm Standalone client for the Quassel IRC client
quazip-devel-0.7.6-2.1.i586.rpm Development files for quazip
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