SIMLIB/C++ is the SIMulation LIBrary for C++ programming language. You can
create models directly in C++ language with the use of predefined simulation
tools from the library. SIMLIB allows object-oriented description of models
based on simulation abstractions. Current version allows a description of
continuous, discrete, combined, 2D/3D vector, and fuzzy models.
Requested by: Roman Divacky
Add omnetpp, a public-source, component-based, modular and open-architecture
simulation environment with strong GUI support and an embeddable simulation
kernel. Its primary application area is the simulation of communication
networks and because of its generic and flexible architecture, it has been
successfully used in other areas like the simulation of IT systems, queueing
networks, hardware architectures and business processes as well.
PR: ports/73920
Submitted by: Bjoern Koenig <bkoenig@cs.tu-berlin.de>
New port science/gromacs
GROMACS is a versatile package to perform molecular dynamics,
i.e. simulate the Newtonian equations of motion for systems
with hundreds to millions of particles, and also the World's
fastest Molecular Dynamics under GPL.
PR: 71211
Submitted by: Stephen Montgomery-Smith <stephen@math.missouri.edu>
Reviewed by: Bruno Afonso <brunomiguel@dequim.ist.utl.pt>
Add vmd, a molecular visualization program for displaying, animating, and
analyzing large biomolecular systems using 3-D graphics and built-in scripting.
PR: ports/70509
Submitted by: Stephen Montgomery-Smith <stephen@math.missouri.edu>
Add kst 0.97.
kst is a program for looking at data streams. It can plot:
- x-y plots
- power spectra
- histograms
- equations (including equations of data streams).
- data in files which are being updated as data is being logged,
in which case it can act as a plotter for a chart recorder.
- much more
You can use the mouse to rapidly zoom into interesting parts of the plots.
In addition to a complete GUI, kst has a convenient command line interface
for rapid access to plotting data in files. kst can read data from stdin.
It provides a DCOP interface for remote manipulation, and supports several
file formats in use in scientific projects around the world.
WWW: http://omega.astro.utoronto.ca/kst/
WWW: http://extragear.kde.org/apps/kst.php
Remove category pkg/COMMENT files in favour of a COMMENT variable in the
category makefile.
Submitted by: Matthew Seaman <m.seaman@infracaninophile.co.uk>
PR: 59651
A Density functional software. This software has a unique design
based upon the DFT++ algebraic framework introduced in Computer
Physics Communications 128, 1-45 (June 2000).
This framework allows us to transparently separate the computational
guts (cache optimization, parallelization, etc.) from the introduction
of new representations (plane waves, wavelets) and new
physics (new density functionals, linear response theory,
dielectric solutions).
The software is fully cache and register optimized,
and runs in serial, threaded, MPI and mixed threaded-MPI
parallel environments.
The PSI3 suite of quantum chemical programs is designed for efficient,
high-accuracy calculations of properties of small to medium-sized molecules.
The package's current capabilities include a variety of Hartree-Fock,
coupled cluster, complete-active-space self-consistent-field,
and multi-reference configuration interaction models.
Molecular point-group symmetry is utilized throughout to maximize efficiency.
Add ruby-dcl, a ruby interface to DCL, a scienific graphical library.
Add ruby-dcl-gtk, a slave port for ruby-dcl with gtk patches.
PR: ports/62873, ports/62874
Submitted by: <murashin@edamame.summing.com>
Gramps (Genealogical Research and Analysis Management Programming System)
is an open source genealogy program. It is written in Python, using the
GTK/GNOME interface.
WWW: http://gramps.sourceforge.net
PR: ports/62171
Submitted by: Andreas Fehlner <fehlner@gmx.de>
New port: science/at Acoustic ToolBox
The Acoustic ToolBox includes four acoustic models:
BELLHOP: A beam/ray trace code
KRAKEN: A normal mode code
SCOOTER: A finite element FFP code
SPARC: A time domain FFP code
A common input structure has been used throughout so that
only minor modifications are needed to switch from one
program to another.
All the models produce shade files which can be processed
using a common set of plotting routines to plot transmission
loss vs. range or vs. range and depth. These plotting
routines are contained in the GLOBAL directory.
PR: ports/42378
Submitted by: Heiner Strauss <heiner@bilch.com>
Added a Numerical Hartree-Fock Program for Diatomic Molecules.
This program package calcluates virtually exact solution of the
Hartree-Fock and Hartree-Fock-Salter equations for diatomic
molecules (distributed under GPL).
Added new port chemtool-devel.
Chemtool is a nice drawing tool for chemist, however,
it has not been released almost 1 year. So I added
developer version as -devel.
Have fun!
