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Source: apbs
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Section: science
Priority: optional
Build-Depends: cmake,
debhelper-compat (= 13),
dh-python,
libmaloc-dev,
mpi-default-dev,
python3,
python3-dev,
python3-setuptools,
swig,
zlib1g-dev
Standards-Version: 4.5.0
Vcs-Browser: https://salsa.debian.org/debichem-team/apbs
Vcs-Git: https://salsa.debian.org/debichem-team/apbs.git
Homepage: http://www.poissonboltzmann.org/
Package: apbs
Architecture: any
Depends: apbs-data (= ${source:Version}),
libapbs3 (= ${binary:Version}),
${misc:Depends},
${shlibs:Depends},
Description: Adaptive Poisson Boltzmann Solver
APBS is a software package for the numerical solution of the
Poisson-Boltzmann equation (PBE), one of the most popular continuum
models for describing electrostatic interactions between molecular
solutes in salty, aqueous media. Continuum electrostatics plays an
important role in several areas of biomolecular simulation, including:
.
* simulation of diffusional processes to determine ligand-protein and
protein-protein binding kinetics,
* implicit solvent molecular dynamics of biomolecules ,
* solvation and binding energy calculations to determine
ligand-protein and protein-protein equilibrium binding constants
and aid in rational drug design,
* and biomolecular titration studies.
.
APBS was designed to efficiently evaluate electrostatic properties for
such simulations for a wide range of length scales to enable the
investigation of molecules with tens to millions of atoms.
.
This package contains the apbs program and utilities.
Package: python3-apbslib
Section: python
Architecture: any
Depends: libapbs3 (= ${binary:Version}),
${misc:Depends},
${python3:Depends},
${shlibs:Depends},
Description: Adaptive Poisson Boltzmann Solver
APBS is a software package for the numerical solution of the
Poisson-Boltzmann equation (PBE), one of the most popular continuum
models for describing electrostatic interactions between molecular
solutes in salty, aqueous media.
.
This package provides the apbslib module for Python3 enabling
Python applications to access apbs.
Package: libapbs-dev
Section: libdevel
Architecture: any
Multi-Arch: same
Depends: libapbs3 (= ${binary:Version}),
${misc:Depends},
${shlibs:Depends},
Description: Adaptive Poisson Boltzmann Solver
APBS is a software package for the numerical solution of the
Poisson-Boltzmann equation (PBE), one of the most popular continuum
models for describing electrostatic interactions between molecular
solutes in salty, aqueous media.
.
This package contains the development headers to build against
libapbs_* shared libraries.
Package: libapbs3
Section: libs
Architecture: any
Multi-Arch: same
Depends: ${misc:Depends},
${shlibs:Depends},
Description: Adaptive Poisson Boltzmann Solver
APBS is a software package for the numerical solution of the
Poisson-Boltzmann equation (PBE), one of the most popular continuum
models for describing electrostatic interactions between molecular
solutes in salty, aqueous media.
.
This package contains the libapbs_* shared libraries.
Package: apbs-data
Architecture: all
Multi-Arch: foreign
Depends: ${misc:Depends}
Breaks: apbs (<= 1.4-2)
Description: data files for APBS (Adaptive Poisson Boltzmann Solver)
APBS is a software package for the numerical solution of the
Poisson-Boltzmann equation (PBE), one of the most popular continuum
models for describing electrostatic interactions between molecular
solutes in salty, aqueous media.
.
This package contains all data files for apbs package to reduce the
redundancy between architectures in Debian.
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