abinit_7.8.2-2_amd64.deb


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Description

abinit - package for electronic structure calculations

Property Value
Distribution Debian 8 (Jessie)
Repository Debian Main amd64
Package name abinit
Package version 7.8.2
Package release 2
Package architecture amd64
Package type deb
Installed size 30.73 KB
Download size 6.99 MB
Official Mirror ftp.br.debian.org
ABINIT is a package whose main program allows one to find the total energy,
charge density and electronic structure of systems made of electrons and
nuclei (molecules and periodic solids) within Density Functional Theory (DFT),
using pseudopotentials and a planewave basis.
ABINIT also includes options to optimize the geometry according to the DFT
forces and stresses, or to perform molecular dynamics simulations using these
forces, or to generate dynamical matrices, Born effective charges, and
dielectric tensors. Excited states can be computed within the Time-Dependent
Density Functional Theory (for molecules), or within Many-Body Perturbation
Theory (the GW approximation). In addition to the main ABINIT code, different
utility programs are provided.
This package contains the executables needed to perform calculations (however,
pseudopotentials are not supplied).  For a set of pseudopotentials, install
the abinit-data package.

Alternatives

Package Version Architecture Repository
abinit_7.8.2-2_i386.deb 7.8.2 i386 Debian Main
abinit - - -

Requires

Name Value
libblas.so.3 -
libblas3 -
libc6 >= 2.14
libgcc1 >= 1:4.1.1
libgfortran3 >= 4.8
liblapack.so.3 -
liblapack3 -
libquadmath0 >= 4.6

Download

Type URL
Binary Package abinit_7.8.2-2_amd64.deb
Source Package abinit

Install Howto

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

Files

Path
/usr/bin/abinit
/usr/bin/aim
/usr/bin/anaddb
/usr/bin/band2eps
/usr/bin/bsepostproc
/usr/bin/conducti
/usr/bin/cut3d
/usr/bin/fftprof
/usr/bin/ioprof
/usr/bin/kss2wfk
/usr/bin/lapackprof
/usr/bin/macroave
/usr/bin/mrgddb
/usr/bin/mrggkk
/usr/bin/mrgscr
/usr/bin/optic
/usr/bin/ujdet
/usr/bin/vdw_kernelgen
/usr/share/doc/abinit/KNOWN_PROBLEMS.gz
/usr/share/doc/abinit/NEWS.gz
/usr/share/doc/abinit/README
/usr/share/doc/abinit/README.ChangeLog
/usr/share/doc/abinit/README.Debian.gz
/usr/share/doc/abinit/README.GPU
/usr/share/doc/abinit/README.xlf
/usr/share/doc/abinit/TODO.Debian
/usr/share/doc/abinit/changelog.Debian.gz
/usr/share/doc/abinit/changelog.gz
/usr/share/doc/abinit/copyright
/usr/share/man/man1/abinit.1.gz

Changelog

2014-09-03 - Andreas Tille <tille@debian.org>
abinit (7.8.2-2) unstable; urgency=medium
* Fix copyright of doc/versioning/leaflet.cls
Closes: #747204
2014-08-21 - Andreas Tille <tille@debian.org>
abinit (7.8.2-1) unstable; urgency=medium
* New upstream version (adapted patches)
Closes: #747259
* No need to remove documentation without source any more
since it was removed by upstream
* moved debian/upstream to debian/upstream/metadata
* Upstream changed the way to install docs so several changes in
d/rules and d/abinit-doc.install were needed.  Docs are now
rebuilded from source
* Several patches needed to enable building latex source
2014-04-20 - Michael Banck <mbanck@debian.org>
abinit (7.6.3+dfsg-1) unstable; urgency=medium
[ Andreas Tille ]
* New upstream version
Closes: #530036, #732520
* debian/copyright:
- reviewed
- DEP5
- Files-Excluded: doc/developers/strain_nonlocal/strainpert.pdf
since this is the only remaining binary without source
* debian/rules: remove orig-tarball target since with new uscan
the remaining to be deleted file can be dealt very easily
* debian/control:
- Build-Depends: python (to enable running tests)
* separate packages for docs and examples
* debian/tests: currently autopkgtest is disabled since it seems
that abinit needs the full source directory.  Leave some skeleton
what might be needed in debian/tests anyway.
[ Michael Banck ]
* debian/rules: Fix nocheck case in DEB_BUILD_OPTIONS for dh_auto_test. 
* debian/patches/help_index.patch: New patch, adding an top-level index page
for the HTML documentation.
* debian/rules (override_dh_compress): New rule, do not compress .pdf files.
* debian/patches/testsuite_parallel.patch: New patch, limit number of cores
for test suite to 2, instead of 6.
* debian/abinit-doc.install: Install documentation into html subdirectory.
* debian/rules (override_dh_compress): Do not compress example .in files.
* debian/control (abinit-examples): Renamed to ...
* debian/control (abinit-data): ... this.  Also, update descriptions
accordingly and make abinit Recommend abinit-data.
* debian/abinit-data.install: New file, install pseudopotentials in
/usr/share/abinit/psp and tutorials in /usr/share/doc/abinit/examples.
* debian/rules (DATPKGNAME): New variable.
* debian/rules (override_dh_install): Modify example .files to take
pseudopotentials from /usr/share/abinit/psp.  Also, remove HGH subdirectory
as the pseudopotentials in there get installed in the main directory.
* debian/TODO: New file.
* debian/rules (override_dh_auto_test): Run "fast" subset of testsuite by
default, not full testsuite.
* debian/rules (override_dh_auto_clean): New target, cleans up upstream test/
directory after testsuite run.
* debian/control (Uploaders): Added myself.
2014-01-08 - Andreas Tille <tille@debian.org>
abinit (5.3.4.dfsg-4) unstable; urgency=medium
* Inject abinit into DebiChem SVN since pkg-scicomp was droped
* debian/control:
- cme fix dpkg-control
- debhelper 9
- slightly enhanced short descriptions to get rid of lintian
warnings
- Removed Christophe Prud'homme and Ondrej Certik from Uploaders
since both seem to be inactive
Closes: #550410
* debian/source/format: 3.0 (quilt)
* debian/rules + debhelper files: Use short dh
* use autotools-dev
Closes: #545054
[ Daniel Leidert ]
* debian/watch: Fixed.
2008-02-05 - Ondrej Certik <ondrej@certik.cz>
abinit (5.3.4.dfsg-3) unstable; urgency=low
* Add XS-DM-Upload-Allowed: yes
* shifted Build-Depends to use the new gfortran based Lapack and Blas
packages in order to phase out packages dependent on the old g2c/g77
(Closes: #463942)
* Homepage field converted to the new style
* Standards version updated to 3.7.3
* Old FSF address fixed in debian/copyright
* abinit-doc moved to the section doc.
* doc/Makefile.in patch moved to debian/patches managed by quilt

See Also

Package Description
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abw2odt_0.9.2-2_amd64.deb AbiWord to OpenDocument converter
abx_0.0~b1-1_amd64.deb audio ABX testing software
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