apbs 3.4.1-5.1ubuntu1 source package in Ubuntu

Changelog

apbs (3.4.1-5.1ubuntu1) noble; urgency=medium

  * d/t/test-apbs: explicitly use bash as shell interpreter
    (Closes #1033528, LP: #2059164)

 -- Simon Chopin <email address hidden>  Fri, 29 Mar 2024 15:19:36 +0100

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Uploaded by:
Simon Chopin
Uploaded to:
Noble
Original maintainer:
Ubuntu Developers
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

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File Size SHA-256 Checksum
apbs_3.4.1.orig.tar.gz 81.8 MiB 644e6246fd37c9dd4172fc7be1763337082ab8584dbcd53e738c831b62c89bb2
apbs_3.4.1-5.1ubuntu1.debian.tar.xz 19.5 MiB 45f74f2196a3ec6989d7b67c5f1b4576194dc2d766d0cf184ae0c1a23bfb6bc7
apbs_3.4.1-5.1ubuntu1.dsc 2.6 KiB 48e8991d37eac75c3e74034124f5ec62b33406ded5124c1bfcf4470bb6f1119f

Available diffs

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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.

libapbs3t64: 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.

libapbs3t64-dbgsym: debug symbols for libapbs3t64
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.

libfetk1.9t64: 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.

libfetk1.9t64-dbgsym: debug symbols for libfetk1.9t64
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