[Cdd-commits] r714 - projects/science/trunk/debian-science/tasks
CDD Subversion Commit
noreply at alioth.debian.org
Sun Apr 20 20:02:16 UTC 2008
Author: fdl-guest
Date: Sun Apr 20 20:02:15 2008
New Revision: 714
Modified:
projects/science/trunk/debian-science/tasks/chemistry
projects/science/trunk/debian-science/tasks/mathematics
projects/science/trunk/debian-science/tasks/physics
projects/science/trunk/debian-science/tasks/viewing
Log:
Updated several tasks.
Modified: projects/science/trunk/debian-science/tasks/chemistry
==============================================================================
--- projects/science/trunk/debian-science/tasks/chemistry (original)
+++ projects/science/trunk/debian-science/tasks/chemistry Sun Apr 20 20:02:15 2008
@@ -23,6 +23,18 @@
Suggests: gdpc-examples
+Depends: avogadro
+Homepage: http://avogadro.openmolecules.net/wiki/Main_Page
+WNPP: 450814
+License: GPL
+Responsible: Debichem Team <debichem-devel at lists.alioth.debian.org>
+Pkg-URL: http://packages.debian.org/experimental/avogadro
+Pkg-Description: advanced molecular editor
+ Avogadro is an advanced molecular editor designed for cross-platform use in
+ computational chemistry, molecular modeling, bioinformatics, materials
+ science, and related areas. It offers flexible rendering and a powerful plugin
+ architecture.
+
Depends: drawxtl
Homepage: http://home.att.net/~larry.finger/drawxtl/
WNPP: 428750
@@ -105,15 +117,72 @@
.
Improves mpqc (#409025) and psi3.
-Depends: avogadro
-Homepage: http://avogadro.openmolecules.net/wiki/Main_Page
-WNPP: 450814
-License: GPL
+Depends: molden
+Homepage: http://www.cmbi.ru.nl/molden/
+License: non-free
Responsible: Debichem Team <debichem-devel at lists.alioth.debian.org>
-Pkg-URL: http://packages.debian.org/experimental/avogadro
-Pkg-Description: advanced molecular editor
- Avogadro is an advanced molecular editor designed for cross-platform use in
- computational chemistry, molecular modeling, bioinformatics, materials
- science, and related areas. It offers flexible rendering and a powerful plugin
- architecture.
-
+Pkg-URL: http://svn.debian.org/wsvn/debichem/wnpp/molden/?rev=0&sc=1
+Pkg-Description: processing program of molecular and electronic structure
+ MOLDEN is a package for displaying Molecular Density from the Ab
+ Initio packages GAMESS-UK , GAMESS-US and GAUSSIAN and the
+ Semi-Empirical packages Mopac/Ampac, it also supports a number of
+ other programs via the MOLDEN Format. MOLDEN reads all the required
+ information from the GAMESS / GAUSSIAN outputfile. MOLDEN is capable
+ of displaying Molecular Orbitals, the electron density and the
+ Molecular minus Atomic density. Either the spherically averaged
+ atomic density or the oriented ground state atomic density can be
+ subtracted for a number of standard basis sets. MOLDEN supports
+ contour plots, 3-d grid plots with hidden lines and a combination of
+ both. It can write a variety of graphics instructions; postscript, X,
+ VRML, povray, OpenGL, tekronix4014, hpgl, hp2392 and Figure. The X
+ version of MOLDEN is also capable of importing and displaying of
+ chemx, PDB, and a variety of mopac/ampac files and lots of other
+ formats. It also can animate reaction paths and molecular
+ vibrations. It can calculate and display the true or Multipole
+ Derived Electrostatic Potential and atomic charges can be fitted to
+ the Electrostatic Potential calculated on a Connolly surface. MOLDEN
+ has a powerful Z-matrix editor which give full control over the
+ geometry and allows you to build molecules from scratch, including
+ polypeptides. MOLDEN was also submitted to the QCPE (QCPE619),
+ allthough the X version is considerably running behind on the current
+ one.
+
+Depends: molekel
+Homepage: http://bioinformatics.org/molekel/
+License: GPL-2+
+Responsible: Michael Banck <mbanck at debian.org>
+Pkg-URL: http://svn.debian.org/wsvn/debichem/wnpp/molekel/?rev=0&sc=1
+Pkg-Description: Advanced Interactive 3D-Graphics for Molecular Sciences
+
+Depends: tinker
+Homepage: http://dasher.wustl.edu/tinker/
+License: non-free
+Responsible: LI Daobing <lidaobing at gmail.com>
+Pkg-URL: http://svn.debian.org/wsvn/debichem/wnpp/tinker/?rev=0&sc=1
+Pkg-Description: Software Tools for Molecular Design
+ The TINKER molecular modeling software is a complete and general
+ package for molecular mechanics and dynamics, with some special
+ features for biopolymers. TINKER has the ability to use any of
+ several common parameter sets, such as Amber (ff94, ff96, ff98 and
+ ff99), CHARMM (19 and 27), Allinger MM (MM2-1991 and MM3-2000), OPLS
+ (OPLS-UA, OPLS-AA and OPLS-AA/L), Liam Dang's polarizable potentials,
+ and our own AMOEBA polarizable atomic multipole force
+ field. Parameter sets for other standard force fields such as GROMOS,
+ UFF, ENCAD and MM4 are under consideration for future releases.
+ .
+ The TINKER package includes a variety of novel algorithms such as a
+ new distance geometry metrization method that has greater speed and
+ better sampling than standard methods, Elber's reaction path methods,
+ several of our Potential Smoothing and Search (PSS) methods for
+ global optimization, an efficient potential surface scanning
+ procedure, a flexible implementation of atomic multipole-based
+ electrostatics with explicit dipole polarizability, a selection of
+ continuum solvation treatments including several variants of the
+ generalized Born (GB/SA) model, an efficient truncated Newton (TNCG)
+ local optimizer, surface areas and volumes with derivatives, a simple
+ free energy perturbation facility, normal mode analysis, minimization
+ in Cartesian, torsional or rigid body space, velocity Verlet
+ stochastic dynamics, an improved spherical energy cutoff method,
+ Particle Mesh Ewald summation for partial charges and regular Ewald
+ for polarizable multipoles, a novel reaction field treatment of long
+ range electrostatics, and more....
\ No newline at end of file
Modified: projects/science/trunk/debian-science/tasks/mathematics
==============================================================================
--- projects/science/trunk/debian-science/tasks/mathematics (original)
+++ projects/science/trunk/debian-science/tasks/mathematics Sun Apr 20 20:02:15 2008
@@ -36,3 +36,16 @@
Suggests: scilab
Why: In non-free
+
+Depends: sagemath
+Homepage: http://www.sagemath.org/
+WNPP: 455292
+License: GPL
+Responsible: none
+Pkg-URL: http://wiki.sagemath.org/DebianSAGE
+Pkg-Description: SAGE is a computer algebra system written in python.
+ SAGE is Software for Algebra and Geometry Experimentation.
+ Is a computer algebra system written in Python, with uses free open source
+ mathematics software. Also it includes interfaces for applications like
+ maxima, octave and many others.
+
Modified: projects/science/trunk/debian-science/tasks/physics
==============================================================================
--- projects/science/trunk/debian-science/tasks/physics (original)
+++ projects/science/trunk/debian-science/tasks/physics Sun Apr 20 20:02:15 2008
@@ -21,47 +21,31 @@
Recommends: tessa | tessa-mpi
-Depends: root-system
-Homepage: http://root.cern.ch/
-WNPP: 325306
-License: LGPL
-Responsible: Christian Holm Christensen <cholm at nbi.dk>
-Pkg-URL: http://packages.debian.org/experimental/root-system
-Pkg-Description: Meta package to install all ROOT packages
- This package is a meta package to ensure the installation of all
- possible ROOT packages on this system.
- .
- The ROOT system provides a set of OO frameworks with all the
- functionality needed to handle and analyse large amounts of data in a
- very efficient way. Having the data defined as a set of objects,
- specialised storage methods are used to get direct access to the
- separate attributes of the selected objects, without having to touch
- the bulk of the data. Included are histograming methods in 1, 2 and 3
- dimensions, curve fitting, function evaluation, minimisation,
- graphics and visualisation classes to allow the easy setup of an
- analysis system that can query and process the data interactively or
- in batch mode.
- .
- Thanks to the built-in CINT C++ interpreter, the command language, the
- scripting, or macro, language, and the programming language are all
- C++. The interpreter allows for fast prototyping of the macros since
- it removes the time consuming compile/link cycle. It also provides a
- good environment to learn C++. If more performance is needed, the
- interactively developed macros can be compiled using a C++ compiler.
- .
- The system has been designed in such a way that it can query its
- databases in parallel on MPP machines or on clusters of workstations
- or high-end PC's. ROOT is an open system that can be dynamically
- extended by linking external libraries. This makes ROOT a premier
- platform on which to build data acquisition, simulation and data
- analysis systems.
-Why: suggested by Kevin B. McCarty, thanks to cdd-dev 0.4 will be turned into \
- a suggests as long as not available in unstable.
-
Recommends: science-electronics
Suggests: science-statistics, science-mathematics
+Depends: blzpack
+Homepage: http://crd.lbl.gov/~osni/#Software
+WNPP: 435394
+License: BSD
+Responsible: Ondrej Certik <ondrej at certik.cz>
+Pkg-Description: library for solving large sparse eigenproblems
+ BLZPACK (for Block LancZos PACKage, release 04/00) is a standard Fortran 77
+ implementation of the block Lanczos algorithm intended for the solution of the
+ standard eigenvalue problem Ax=µx or the generalized eigenvalue problem
+ Ax=µBx, where A and B are real, sparse symmetric matrices, µ an eigenvalue and
+ x an eigenvector.
+ .
+ The development of this eigensolver was motivated by the need to solve large,
+ sparse, generalized problems from free vibration analyses in structural
+ engineering. Several upgrades were performed afterwards aiming at the solution
+ of eigenvalues problems from a wider range of applications.
+ .
+ Documentation: user's guide, technical report and comprehensive bibliography.
+ .
+ Install this package if you need to compile or link against BLZPACK.
+
Depends: brlcad
Homepage: http://my.brlcad.org/
WNPP: 289632
@@ -77,39 +61,6 @@
first GPL'ed release of the package. It is being maintained by the
US Army Research laboratory (ARL).
-Depends: meshlab
-Homepage: http://meshlab.sourceforge.net/
-WNPP: 426581
-License: GPL
-Responsible: Teemu Ikonen <tpikonen at gmail.com>
-Pkg-URL: http://esko.osmas.info/~tmx/meshlab/
-Pkg-Description: System for processing and editing triangular meshes
- MeshLab is an open source, portable, and extendible system for the
- processing and editing of unstructured 3D triangular meshes.
- The system is aimed to help the processing of the typical not-so-small
- unstructured models arising in 3D scanning, providing a set of tools for
- editing, cleaning, healing, inspecting, rendering and converting this kind
- of meshes.
- .
- Meshlab can read files in these formats: PLY, STL, OFF, OBJ, 3DS, COLLADA
- and PTX. It can write PLY, STL, OFF, OBJ, 3DS, COLLADA, VRML, and DXF.
-
-Depends: gate
-Homepage: http://opengatecollaboration.healthgrid.org/
-WNPP: 431425
-License: LGPL
-Responsible: Nicolas Spalinger <nicolas.spalinger at healthgrid.org>
-Pkg-Description: Geant4 Application for Emission Tomography
- GATE incorporates the Geant4 libraries in a modular, versatile, and
- scripted simulation toolkit which is adapted to the field of nuclear
- medicine both in PET (Positron Emission Tomography) and SPECT (Single
- Photon Emission Computer Tomography). It allows the accurate description
- of time-dependent phenomena such as source or detector movement and
- source decay kinetics. The ability to synchronize all time-dependent
- components allows a coherent description of the acquisition process. It
- makes it possible to perform realistic simulations of data acquisitions
- in time.
-
Depends: cadabra
Homepage: http://www.aei.mpg.de/~peekas/cadabra/
WNPP: 434489
@@ -124,26 +75,17 @@
dependence, multiple index types and many more. The input format is
a subset of TeX.
-Depends: blzpack
-Homepage: http://crd.lbl.gov/~osni/#Software
-WNPP: 435394
-License: BSD
-Responsible: Ondrej Certik <ondrej at certik.cz>
-Pkg-Description: library for solving large sparse eigenproblems
- BLZPACK (for Block LancZos PACKage, release 04/00) is a standard Fortran 77
- implementation of the block Lanczos algorithm intended for the solution of the
- standard eigenvalue problem Ax=µx or the generalized eigenvalue problem
- Ax=µBx, where A and B are real, sparse symmetric matrices, µ an eigenvalue and
- x an eigenvector.
- .
- The development of this eigensolver was motivated by the need to solve large,
- sparse, generalized problems from free vibration analyses in structural
- engineering. Several upgrades were performed afterwards aiming at the solution
- of eigenvalues problems from a wider range of applications.
- .
- Documentation: user's guide, technical report and comprehensive bibliography.
- .
- Install this package if you need to compile or link against BLZPACK.
+Depends: clhep2
+Homepage: http://wwwasd.web.cern.ch/wwwasd/lhc++/clhep/
+License: non-DFSG
+Responsible: Dr James Ferrando <ferrando at mail.desy.de>
+Pkg-URL: http://www-pnp.physics.ox.ac.uk/~ferrando/debian/pool/hep/clhep/
+Pkg-Description: CLHEP - A Class Library for High Energy Physics
+ The CLHEP project was proposed by Leif Lönnblad at CHEP 92. It is intended to
+ be a set of HEP-specific foundation and utility classes such as random
+ generators, physics vectors, geometry and linear algebra. CLHEP is structured
+ in a set of packages independent of any external package (interdependencies
+ within CLHEP are allowed under certain conditions).
Depends: drawxtl
Homepage: http://home.att.net/~larry.finger/drawxtl/
@@ -168,6 +110,22 @@
high-quality output but do not have
POV-RAY installed.
+Depends: gate
+Homepage: http://opengatecollaboration.healthgrid.org/
+WNPP: 431425
+License: LGPL
+Responsible: Nicolas Spalinger <nicolas.spalinger at healthgrid.org>
+Pkg-Description: Geant4 Application for Emission Tomography
+ GATE incorporates the Geant4 libraries in a modular, versatile, and
+ scripted simulation toolkit which is adapted to the field of nuclear
+ medicine both in PET (Positron Emission Tomography) and SPECT (Single
+ Photon Emission Computer Tomography). It allows the accurate description
+ of time-dependent phenomena such as source or detector movement and
+ source decay kinetics. The ability to synchronize all time-dependent
+ components allows a coherent description of the acquisition process. It
+ makes it possible to perform realistic simulations of data acquisitions
+ in time.
+
Depends: geant4
Homepage: http://geant4.cern.ch/
WNPP: 325305
@@ -186,15 +144,82 @@
GEANT4 environment. Unless you know exactly what parts of GEANT4
you want, it is best to install this package.
-Depends: clhep2
-Homepage: http://wwwasd.web.cern.ch/wwwasd/lhc++/clhep/
-License: non-DFSG
-Responsible: Dr James Ferrando <ferrando at mail.desy.de>
-Pkg-URL: http://www-pnp.physics.ox.ac.uk/~ferrando/debian/pool/hep/clhep/
-Pkg-Description: CLHEP - A Class Library for High Energy Physics
- The CLHEP project was proposed by Leif Lönnblad at CHEP 92. It is intended to
- be a set of HEP-specific foundation and utility classes such as random
- generators, physics vectors, geometry and linear algebra. CLHEP is structured
- in a set of packages independent of any external package (interdependencies
- within CLHEP are allowed under certain conditions).
+Depends: meshlab
+Homepage: http://meshlab.sourceforge.net/
+WNPP: 426581
+License: GPL
+Responsible: Teemu Ikonen <tpikonen at gmail.com>
+Pkg-URL: http://esko.osmas.info/~tmx/meshlab/
+Pkg-Description: System for processing and editing triangular meshes
+ MeshLab is an open source, portable, and extendible system for the
+ processing and editing of unstructured 3D triangular meshes.
+ The system is aimed to help the processing of the typical not-so-small
+ unstructured models arising in 3D scanning, providing a set of tools for
+ editing, cleaning, healing, inspecting, rendering and converting this kind
+ of meshes.
+ .
+ Meshlab can read files in these formats: PLY, STL, OFF, OBJ, 3DS, COLLADA
+ and PTX. It can write PLY, STL, OFF, OBJ, 3DS, COLLADA, VRML, and DXF.
+
+Depends: opencascade-tools
+Homepage: http://www.opencascade.org/
+WNPP: 464400
+License: LGPL/non-free
+Responsible: Adam C. Powell, IV <hazelsct at debian.org>
+Pkg-URL: http://lyre.mit.edu/~powell/opencascade/
+Pkg-Description: OpenCASCADE CAE platform tools
+ OpenCASCADE is a suite for 3D surface and solid modeling, visualization, data
+ exchange and rapid application development. It is an excellent platform for
+ development of numerical simulation software including CAD/CAM/CAE, AEC and
+ GIS, as well as PDM applications.
+ .
+ This package contains the command-line tools DRAWEXE, wokprocess, woksh.
+
+Depends: root-system
+Homepage: http://root.cern.ch/
+WNPP: 325306
+License: LGPL
+Responsible: Christian Holm Christensen <cholm at nbi.dk>
+Pkg-URL: http://packages.debian.org/experimental/root-system
+Pkg-Description: Meta package to install all ROOT packages
+ This package is a meta package to ensure the installation of all
+ possible ROOT packages on this system.
+ .
+ The ROOT system provides a set of OO frameworks with all the
+ functionality needed to handle and analyse large amounts of data in a
+ very efficient way. Having the data defined as a set of objects,
+ specialised storage methods are used to get direct access to the
+ separate attributes of the selected objects, without having to touch
+ the bulk of the data. Included are histograming methods in 1, 2 and 3
+ dimensions, curve fitting, function evaluation, minimisation,
+ graphics and visualisation classes to allow the easy setup of an
+ analysis system that can query and process the data interactively or
+ in batch mode.
+ .
+ Thanks to the built-in CINT C++ interpreter, the command language, the
+ scripting, or macro, language, and the programming language are all
+ C++. The interpreter allows for fast prototyping of the macros since
+ it removes the time consuming compile/link cycle. It also provides a
+ good environment to learn C++. If more performance is needed, the
+ interactively developed macros can be compiled using a C++ compiler.
+ .
+ The system has been designed in such a way that it can query its
+ databases in parallel on MPP machines or on clusters of workstations
+ or high-end PC's. ROOT is an open system that can be dynamically
+ extended by linking external libraries. This makes ROOT a premier
+ platform on which to build data acquisition, simulation and data
+ analysis systems.
+
+Depends: salome
+Homepage: http://www.salome-platform.org/
+WNPP: 457075
+License: LGPL
+Responsible: Adam C Powell IV <hazelsct at debian.org>
+Pkg-Description: Engineering simulation framework
+ Salomé is a powerful LGPL framework for engineering simulations. It has
+ CAD capability within itself, can import and export CAD files in IGES
+ format, can mesh those files, and control an external parallel solver
+ such as Code Aster, then visualize the results. Salomé is at the heart
+ of the new CAELinux (Computer-Aided Engineering Linux) live DVD
+ distribution.
Modified: projects/science/trunk/debian-science/tasks/viewing
==============================================================================
--- projects/science/trunk/debian-science/tasks/viewing (original)
+++ projects/science/trunk/debian-science/tasks/viewing Sun Apr 20 20:02:15 2008
@@ -32,6 +32,29 @@
Suggests: pgplot5
Why: non-free
+Depends: paraview
+Homepage: http://www.paraview.org/
+WNPP: 304334
+License: other-BSD
+Responsible: Debian Scientific Computing Team <pkg-scicomp-devel at lists.alioth.debian.org>
+Pkg-URL: http://svn.debian.org/wsvn/pkg-scicomp/paraview/
+Pkg-Description: Parallel Visualization Application
+ ParaView is an open-source, multi-platform application designed to
+ visualize data sets of size varying from small to very large. The
+ goals of the ParaView project include the following:
+ .
+ * Develop an open-source, multi-platform visualization application.
+ * Support distributed computation models to process large data sets.
+ * Create an open, flexible, and intuitive user interface.
+ * Develop an extensible architecture based on open standards.
+ .
+ ParaView runs on distributed and shared memory parallel as well as
+ single processor systems and has been successfully tested on Windows,
+ Mac OS X, Linux and various Unix workstations, clusters and
+ supercomputers. Under the hood, ParaView uses the Visualization
+ Toolkit as the data processing and rendering engine and has a user
+ interface written using Qt.
+
Depends: teem
Homepage: http://teem.sourceforge.net
License: LGPL
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