abinit_8.8.4-2_amd64.deb


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Description

abinit - package for electronic structure calculations

Property Value
Distribution Debian 10 (Buster)
Repository Debian Main amd64
Package filename abinit_8.8.4-2_amd64.deb
Package name abinit
Package version 8.8.4
Package release 2
Package architecture amd64
Package type deb
Category field::chemistry field::physics role::program science
Homepage http://www.abinit.org/
License -
Maintainer Debichem Team <debichem-devel@lists.alioth.debian.org>
Download size 14.40 MB
Installed size 105.14 MB
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_8.8.4-2_i386.deb 8.8.4 i386 Debian Main
abinit - - -

Requires

Name Value
libblas.so.3 -
libblas3 -
libc6 >= 2.27
libgcc1 >= 1:4.0
libgfortran5 >= 8
liblapack.so.3 -
liblapack3 -
libquadmath0 >= 4.6

Download

Type URL
Mirror ftp.br.debian.org
Binary Package abinit_8.8.4-2_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/dummy_tests
/usr/bin/fftprof
/usr/bin/fold2Bloch
/usr/bin/ioprof
/usr/bin/lapackprof
/usr/bin/macroave
/usr/bin/mrgddb
/usr/bin/mrgdv
/usr/bin/mrggkk
/usr/bin/mrgscr
/usr/bin/multibinit
/usr/bin/optic
/usr/bin/tdep
/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.Debian.gz
/usr/share/doc/abinit/README_MacOSX.md
/usr/share/doc/abinit/README_gpu.md
/usr/share/doc/abinit/README_xlf.md
/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
/usr/share/man/man1/multibinit.1.gz

Changelog

2018-12-25 - Michael Banck <mbanck@debian.org>
abinit (8.8.4-2) unstable; urgency=medium
* debian/rules (override_dh_auto_test-arch): Increase test timeout two-fold
(Closes: #883974).
2018-09-14 - Michael Banck <mbanck@debian.org>
abinit (8.8.4-1) unstable; urgency=medium
[ Andrius Merkys ]
* New upstream version (Closes: #907395)
* Updating patch enable_pstricks_with_pdflatex.patch.
* Removing upstream-integrated patch gcc7_random_seek.patch.
* Removing patch help_index.patch as HTML documentation is no longer present
in the upstream tarball.
* Bumping compat.
* debian/rules: autotools-dev sequence has been replaced by dh in debhelper.
* Dropping build-dependency on autotools-dev (included in debhelper).
* Using upstream-preferred method instead of dh_autoreconf.
* Adding one more patch to remove non-existent response.pdf.
* debian/abinit-doc.install: locations of many docs have been changed.
* Generating manpages using help2man, as old manpages are gone.
* Adding help2man to Build-Depends.
* Setting $HOME to /nonexistent to prevent writing to it.
* Passing '-g' flag to Fortran compiler.
* Adding '-ffree-line-length-none' to FCFLAGS, as suggested in
https://github.com/abinit/abinit/issues/1.
* debian/copyright: HTTP -> HTTPS.
* debian/rules: fixing documentation path, skipping compression of .md files.
* debian/rules: fixing replacement of pseudopotential directory.
* Adding lintian override to ignore missing source of unused JS file.
* debian/rules: separating -arch and -indep targets.
[ Michael Banck ]
* debian/watch: Updated.
2017-08-05 - Michael Banck <mbanck@debian.org>
abinit (8.0.8-4) unstable; urgency=medium
* debian/patches/gcc7_random_seek.patch: Fix typo.
2017-08-05 - Michael Banck <mbanck@debian.org>
abinit (8.0.8-3) unstable; urgency=medium
* debian/patches/series: Updated.
2017-08-05 - Michael Banck <mbanck@debian.org>
abinit (8.0.8-2) unstable; urgency=medium
* debian/patches/gcc7_random_seek.patch: New patch, fix FTBFS error with GCC7
(Closes: #853297).
2016-09-16 - Andreas Tille <tille@debian.org>
abinit (8.0.8-1) unstable; urgency=medium
* New upstream version
* Add texlive-luatex to Build-Depends
Closes: #835781
* Remove "Section: doc" from abinit-data package
Closes: #762914
* cme fix dpkg-control
* fix DEP5 names
* hardening=+all
2015-11-22 - Michael Banck <mbanck@debian.org>
abinit (7.8.2-3) unstable; urgency=medium
[ Michael Banck ]
* debian/control (Vcs-Browser, Vcs-Svn): Fixed URLs.
* debian/rules (override_dh_auto_build): New target, builds documentation
and additional PDFs besides the regular build.
* debian/patches/enable_pstricks_with_pdflatex.patch: Updated to include
auto-pst-pdf package, which is required but does not get included
automatically anymore (Closes: #800736).
* debian/rules (override_dh_install): Renamed to ...
* debian/rules (override_dh_auto_install): ... this.  Run dh_auto_install
once for the regular build and the documentation.
[ Daniel Leidert ]
* debian/watch: Fixed.
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

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