quantum-espresso-data_6.0-3_all.deb


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Description

quantum-espresso-data - Electronic-Structure and Ab-Initio Molecular Dynamics Suite (Documentation)

Property Value
Distribution Debian 9 (Stretch)
Repository Debian Main i386
Package filename quantum-espresso-data_6.0-3_all.deb
Package name quantum-espresso-data
Package version 6.0
Package release 3
Package architecture all
Package type deb
Category role::app-data science
Homepage http://www.quantum-espresso.org/
License -
Maintainer Debichem Team <debichem-devel@lists.alioth.debian.org>
Download size 12.64 MB
Installed size 49.52 MB
Quantum ESPRESSO is an integrated suite of computer codes for
electronic-structure calculations and materials modeling at the nanoscale. It
is based on density-functional theory, plane waves, and pseudopotentials (both
norm-conserving, ultrasoft, and PAW).
This package contains a limited set of pseudo-potentials and example files.

Alternatives

Package Version Architecture Repository
quantum-espresso-data_6.0-3_all.deb 6.0 all Debian Main
quantum-espresso-data - - -

Replaces

Name Value
quantum-espresso << 5.0.2-1

Download

Type URL
Mirror ftp.br.debian.org
Binary Package quantum-espresso-data_6.0-3_all.deb
Source Package espresso

Install Howto

  1. Update the package index:
    # sudo apt-get update
  2. Install quantum-espresso-data deb package:
    # sudo apt-get install quantum-espresso-data

Files

Path
/usr/share/doc/quantum-espresso-data/changelog.Debian.gz
/usr/share/doc/quantum-espresso-data/changelog.gz
/usr/share/doc/quantum-espresso-data/copyright
/usr/share/doc/quantum-espresso/html/WARNINGS
/usr/share/doc/quantum-espresso/html/contents.png
/usr/share/doc/quantum-espresso/html/footnode.html
/usr/share/doc/quantum-espresso/html/images.aux
/usr/share/doc/quantum-espresso/html/images.log.gz
/usr/share/doc/quantum-espresso/html/images.pl
/usr/share/doc/quantum-espresso/html/images.tex.gz
/usr/share/doc/quantum-espresso/html/img1.png
/usr/share/doc/quantum-espresso/html/img2.png
/usr/share/doc/quantum-espresso/html/index.html
/usr/share/doc/quantum-espresso/html/internals.pl
/usr/share/doc/quantum-espresso/html/labels.pl
/usr/share/doc/quantum-espresso/html/next.png
/usr/share/doc/quantum-espresso/html/next_g.png
/usr/share/doc/quantum-espresso/html/node1.html
/usr/share/doc/quantum-espresso/html/node10.html
/usr/share/doc/quantum-espresso/html/node11.html
/usr/share/doc/quantum-espresso/html/node12.html
/usr/share/doc/quantum-espresso/html/node13.html
/usr/share/doc/quantum-espresso/html/node14.html
/usr/share/doc/quantum-espresso/html/node15.html
/usr/share/doc/quantum-espresso/html/node16.html
/usr/share/doc/quantum-espresso/html/node17.html
/usr/share/doc/quantum-espresso/html/node18.html
/usr/share/doc/quantum-espresso/html/node19.html
/usr/share/doc/quantum-espresso/html/node2.html
/usr/share/doc/quantum-espresso/html/node20.html
/usr/share/doc/quantum-espresso/html/node3.html
/usr/share/doc/quantum-espresso/html/node4.html
/usr/share/doc/quantum-espresso/html/node5.html
/usr/share/doc/quantum-espresso/html/node6.html
/usr/share/doc/quantum-espresso/html/node7.html
/usr/share/doc/quantum-espresso/html/node8.html
/usr/share/doc/quantum-espresso/html/node9.html
/usr/share/doc/quantum-espresso/html/prev.png
/usr/share/doc/quantum-espresso/html/prev_g.png
/usr/share/doc/quantum-espresso/html/up.png
/usr/share/doc/quantum-espresso/html/up_g.png
/usr/share/doc/quantum-espresso/html/user_guide.css
/usr/share/doc/quantum-espresso/html/user_guide.html
/usr/share/espresso/pseudo/Al.pbe-rrkj.UPF
/usr/share/espresso/pseudo/Al.pz-vbc.UPF
/usr/share/espresso/pseudo/As.pz-bhs.UPF
/usr/share/espresso/pseudo/Au.pz-rrkjus_aewfc.UPF
/usr/share/espresso/pseudo/Au.rel-pz-kjpaw.UPF
/usr/share/espresso/pseudo/C.pbe-mt_gipaw.UPF
/usr/share/espresso/pseudo/C.pbe-n-kjpaw_psl.0.1.UPF
/usr/share/espresso/pseudo/C.pbe-rrkjus.UPF
/usr/share/espresso/pseudo/C.pbe-van_bm.UPF
/usr/share/espresso/pseudo/C.pz-kjpaw.UPF
/usr/share/espresso/pseudo/C.pz-rrkjus.UPF
/usr/share/espresso/pseudo/C.pz-vbc.UPF
/usr/share/espresso/pseudo/C.tpss-mt.UPF
/usr/share/espresso/pseudo/CorelUSPBE.RRKJ3.UPF
/usr/share/espresso/pseudo/Cu.pbe-kjpaw.UPF
/usr/share/espresso/pseudo/Cu.pz-d-rrkjus.UPF
/usr/share/espresso/pseudo/Fe.pz-nd-rrkjus.UPF
/usr/share/espresso/pseudo/Fe.rel-pbe-kjpaw.UPF
/usr/share/espresso/pseudo/Ge.pbe-kjpaw.UPF
/usr/share/espresso/pseudo/H.blyp-vbc.UPF
/usr/share/espresso/pseudo/H.coulomb-ae.UPF
/usr/share/espresso/pseudo/H.pbe-kjpaw.UPF
/usr/share/espresso/pseudo/H.pbe-rrkjus.UPF
/usr/share/espresso/pseudo/H.pz-kjpaw.UPF
/usr/share/espresso/pseudo/H.tpss-mt.UPF
/usr/share/espresso/pseudo/HUSPBE.RRKJ3
/usr/share/espresso/pseudo/H_US.van
/usr/share/espresso/pseudo/N.pbe-kjpaw.UPF
/usr/share/espresso/pseudo/Ni.pbe-nd-rrkjus.UPF
/usr/share/espresso/pseudo/Ni.pz-nd-rrkjus.UPF
/usr/share/espresso/pseudo/Ni.rel-pbe-nd-rrkjus.UPF
/usr/share/espresso/pseudo/O.blyp-mt.UPF
/usr/share/espresso/pseudo/O.pbe-kjpaw.UPF
/usr/share/espresso/pseudo/O.pbe-rrkjus.UPF
/usr/share/espresso/pseudo/O.pz-kjpaw.UPF
/usr/share/espresso/pseudo/O.pz-rrkjus.UPF
/usr/share/espresso/pseudo/O.pz-van_ak.UPF
/usr/share/espresso/pseudo/O_US.van
/usr/share/espresso/pseudo/Pb.pz-d-van.UPF
/usr/share/espresso/pseudo/Pt.rel-pbe-n-rrkjus.UPF
/usr/share/espresso/pseudo/Pt.rel-pz-n-rrkjus.UPF
/usr/share/espresso/pseudo/Rh.pbe-rrkjus_lb.UPF
/usr/share/espresso/pseudo/Rhs.pbe-rrkjus_lb.UPF
/usr/share/espresso/pseudo/Si.bhs
/usr/share/espresso/pseudo/Si.pz-vbc.UPF
/usr/share/espresso/pseudo/Si.rel-pbe-rrkj.UPF
/usr/share/espresso/pseudo/Ti.pz-sp-van_ak.UPF
/usr/share/espresso/pseudo/clean_ps
/usr/share/espresso/pseudo/rVV10_kernel_table
/usr/share/espresso/pseudo/vdW_kernel_table

Changelog

2016-11-12 - Michael Banck <mbanck@debian.org>
espresso (6.0-3) unstable; urgency=medium
* debian/patches/install_file_ordering.patch: New patch, fixes a build
failure for unfortunate file orderings, by Santiago Vila (Closes: #841096).
2016-10-07 - Michael Banck <mbanck@debian.org>
espresso (6.0-2) unstable; urgency=medium
* debian/quantum-espresso-data.install: Remove examples.
2016-10-07 - Michael Banck <mbanck@debian.org>
espresso (6.0-1) unstable; urgency=medium
* New upstream release.
* debian/copyright (Files-Excluded): Removed, no longer needed.
* debian/patches/configure_elpa_lib.patch: Removed, no longer needed.
* debian/patches/testsuite_verbose.patch: Likewise.
* debian/patches/makefile_clean.patch: Likewise.
* debian/patches/pseudopotential_dir.patch: Refreshed.
* debian/patches/testsuite_pseudopotentials.patch: Likewise.
* debian/patches/install_bindir.patch: Likewise.
* debian/patches/configure_fix_ppc64_define.patch: Likewise.
* debian/patches/elpa3_support.patch: Updated, now only defines __ELPA_2016.
* debian/patches/testsuite_flush_stdout.patch: Removed, applied upstream.
* debian/rules (override_dh_auto_configure): Replaced --with-elpa configure
option with --with-elpa-include and --with-elpa-lib.
* debian/rules (override_dh_auto_test): No longer run the TDDFPT examples.
* debian/rules (override_dh_auto_test): Run run-tests target.
* debian/README.source: Removed, no longer needed.
* debian/rules (override_dh_auto_test): No longer symlink in pseudopotentials
from example directory, which no longer exists.
* debian/rules (override_dh_auto_clean): Removed no longer needed lines.
* debian/patches/testsuite_pseudopotentials.patch: Add some more
pseudopotentials.
2016-09-25 - Michael Banck <mbanck@debian.org>
espresso (5.4.0+dfsg-5) unstable; urgency=medium
* debian/rules (binary-indep): Split-off a build-indep target building the
vdW kernel and the documentation.
* debian/rules (build-indep): Generate rVV10_kernel_table file as well.
* debian/patches/vdw_kernel_table_verbose.patch: Removed, no longer needed.
* debian/patches/testsuite_pseudopotentials.patch: Updated, removed the
rVV10_kernel_table file as it is generated during build now.
2016-09-24 - Michael Banck <mbanck@debian.org>
espresso (5.4.0+dfsg-4) unstable; urgency=medium
* debian/patches/vdw_kernel_table_verbose.patch: New patch, keeps printing
output while the vdW kernel table is being computed, in order to avoid
build timeouts.
* debian/patches/configure_fix_ppc64_define.patch: New patch, removes
hardcoded __XLF preprocessor define on ppc64.
2016-09-23 - Michael Banck <mbanck@debian.org>
espresso (5.4.0+dfsg-3) unstable; urgency=medium
* debian/patches/testsuite_flush_stdout.patch: New patch, flush stdout after
each test (Closes: #838299).
2016-09-20 - Michael Banck <mbanck@debian.org>
espresso (5.4.0+dfsg-2) unstable; urgency=medium
* debian/patches/testsuite_verbose.patch: New patch, printing test cases
as they are run (Adresses: #838299).

See Also

Package Description
quantum-espresso_6.0-3_i386.deb Electronic-Structure and Ab-Initio Molecular Dynamics Suite
quarry_0.2.0.dfsg.1-4.1+b1_i386.deb Board games Go, Amazons, and Reversi (a.k.a. Othello)
quassel-client-kde4_0.12.4-2+deb9u1_all.deb transitional package to quassel-client
quassel-client_0.12.4-2+deb9u1_i386.deb distributed IRC client - client component
quassel-core_0.12.4-2+deb9u1_i386.deb distributed IRC client - core component
quassel-data_0.12.4-2+deb9u1_all.deb distributed IRC client - shared data
quassel-kde4_0.12.4-2+deb9u1_all.deb transitional package to quassel
quassel_0.12.4-2+deb9u1_i386.deb distributed IRC client - monolithic core+client
quelcom_0.4.0-13+b2_i386.deb Command line editing tools for MP3 and WAV files
quickml_0.7-5_all.deb Very-easy-to-use mailing list system
quickplot_1.0.1~rc-1+b2_i386.deb fast interactive 2D plotter and data viewer
quickroute-gps_2.4-14_i386.deb GPS analysis software for getting your route on the map
quicksynergy_0.9-2+b1_i386.deb GUI for easy configuration of Synergy
quicktime-utils_1.2.4-10+deb9u1_i386.deb library for reading and writing Quicktime files (utilities)
quicktime-x11utils_1.2.4-10+deb9u1_i386.deb library for reading and writing Quicktime files (x11 utilities)
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