apbs 3.4.1-5 source package in Ubuntu

Changelog

apbs (3.4.1-5) unstable; urgency=medium

  * Team upload.
  * Add patch to drop obsolete "U" mode passed to open(), which causes runtime
    errors with python 3.11, by Steve Langasek. Closes: #1028354.

 -- Michael Banck <email address hidden>  Tue, 10 Jan 2023 21:56:38 +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
Lunar release universe science

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File Size SHA-256 Checksum
apbs_3.4.1-5.dsc 2.6 KiB 024892a87f8b9c0d9fd6a9ef6c4a500e1d7f48bb4566140ddc6037573472c239
apbs_3.4.1.orig.tar.gz 81.8 MiB 644e6246fd37c9dd4172fc7be1763337082ab8584dbcd53e738c831b62c89bb2
apbs_3.4.1-5.debian.tar.xz 19.4 MiB c43db451b72a67eea8af2c6a14c3f57559f68153a68e4fc71502a4bd55ab8f17

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Binary packages built by this source

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. 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.

apbs-data: 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.

apbs-dbgsym: debug symbols for apbs
apbs-doc: 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 documentation.

libapbs-dev: 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.

libapbs3: 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.

libapbs3-dbgsym: debug symbols for libapbs3
libfetk-dev: FETK libraries for APBS (development headers)

 The Finite Element ToolKit (FETK) is a collection of adaptive finite
 element method (AFEM) software libraries and tools for solving
 coupled systems of nonlinear geometric partial differential equations
 (PDE). The FETK libraries and tools are written in an object-oriented
 form of ANSI-C and in C++, and include a collection of standard
 numerical libraries (PUNC), a stand-alone high-quality surface and
 volume simplex mesh generator (GAMer), a stand-alone networked
 polygon display tool (SG), a general nonlinear finite element
 modeling kernel (MC)
 .
 This package provides a fork of FETK intended for use by APBS
 (Adaptive Poisson Boltzmann Solver).
 .
 The FETK component MALOC (Minimal Abstraction Layer for
 Object-oriented C/C++ programs) is provided separately by
 libmaloc-dev.
 .
 This package contains the development headers to build against
 libapbs_* shared libraries.

libfetk1.9: FETK libraries for APBS (shared libraries)

 The Finite Element ToolKit (FETK) is a collection of adaptive finite
 element method (AFEM) software libraries and tools for solving
 coupled systems of nonlinear geometric partial differential equations
 (PDE). The FETK libraries and tools are written in an object-oriented
 form of ANSI-C and in C++, and include a collection of standard
 numerical libraries (PUNC), a stand-alone high-quality surface and
 volume simplex mesh generator (GAMer), a stand-alone networked
 polygon display tool (SG), a general nonlinear finite element
 modeling kernel (MC)
 .
 This package provides a fork of FETK intended for use by APBS
 (Adaptive Poisson Boltzmann Solver).
 .
 The FETK component MALOC (Minimal Abstraction Layer for
 Object-oriented C/C++ programs) is provided separately via
 libmaloc-dev.
 .
 This package contains the libgamer, libmc, libpunc (and libcgcode,
 libvf2c) shared libraries.

libfetk1.9-dbgsym: debug symbols for libfetk1.9
python3-apbslib: 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 both the apbs and apbslib modules for Python3
 enabling Python applications to access apbs.

python3-apbslib-dbgsym: debug symbols for python3-apbslib