mirror of https://github.com/abinit/abinit.git
94 lines
4.4 KiB
Plaintext
94 lines
4.4 KiB
Plaintext
Source: abinit
|
|
Section: science
|
|
Priority: optional
|
|
Maintainer: Yann Pouillon <yann.pouillon@gmail.com>
|
|
Build-Depends: debhelper (>= 7), autotools-dev, quilt (>= 0.46-4),
|
|
gfortran (>= 4:4.2), liblapack-dev (>= 3.0.20000531a-1.1),
|
|
libetsf-io-dev (>= 1.0.3), libnetcdf-dev (>= 4.1.1)
|
|
Standards-Version: 3.8.4
|
|
Homepage: https://www.abinit.org/
|
|
|
|
Package: abinit
|
|
Architecture: any
|
|
Depends: abinit-common (= ${binary:Version}), ${shlibs:Depends},
|
|
${misc:Depends}
|
|
Recommends: abinit-doc
|
|
Suggests: abinit-test
|
|
Description: Electronic structure calculations - Main binaries
|
|
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 all programs needed to perform calculations. For
|
|
documentation and tests, install the abinit-doc and abinit-test packages.
|
|
|
|
Package: abinit-common
|
|
Architecture: all
|
|
Depends: ${misc:Depends}
|
|
Description: Electronic structure calculations - Common 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 common data, such as pseudopotentials, necessary
|
|
to run the test suite and the tutorials.
|
|
|
|
Package: abinit-doc
|
|
Architecture: all
|
|
Section: doc
|
|
Depends: ${misc:Depends}
|
|
Description: 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 of abinit.
|
|
|
|
Package: abinit-test
|
|
Architecture: all
|
|
Section: devel
|
|
Depends: perl (>> 5.6), ${misc:Depends}
|
|
Description: Electronic structure calculations - Test suite
|
|
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 test suite of abinit.
|
|
|