Ubuntu
abinit package

abinit 7.8.2-3 source package in Ubuntu

Changelog

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.

 -- Michael Banck <email address hidden>  Sun, 22 Nov 2015 16:42:58 +0100

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Xenial release universe science

Downloads

File Size SHA-256 Checksum
abinit_7.8.2-3.dsc 2.2 KiB 5c0546398383929725a5385dcfe0514c7e672f1a56815e53b62475572e26a1a3
abinit_7.8.2.orig.tar.gz 63.2 MiB 793b8b5698f8a4231e34e62711e7d5f56fb276aa5bb3bad8303af0ae2f74aead
abinit_7.8.2-3.debian.tar.xz 12.1 KiB fee322a689fc0d067a139c132f6b851fdc12feb95513df8631763cf0ac869dc5

Available diffs

No changes file available.

Binary packages built by this source

abinit: package for electronic structure calculations

 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.

abinit-data: package for electronic structure calculations (Data files)

 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 a set of pseudopotentials and example inputs.

abinit-dbgsym: debug symbols for package abinit

 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.

abinit-doc: package for electronic structure calculations (Documentation)

 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 documentation and tutorials.