22:18 thierry 

Add getdp 1.0.0, a rather general finite element solver using mixed
finite elements.

Suggested by:   Pedro F. Giffuni.

01:36 maho 

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>

08:37 ijliao 

add py-scipy 0.3
Scientific tools for Python

16:34 pav 

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>

08:45 maho 

Add abinit, calculates total energy, charge density
and electronic structure of systems.

15:44 markus 

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

07:29 kris 

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

23:34 thierry 

Add ovt 2.3, the Orbit Visualization Tool.

PR:             57860
Submitted by:   Mykola Khotyaintsev <ko@nest.irfu.se>

04:50 maho 

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.

09:32 maho 

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.

16:52 pav 

Add gave, a gtk+ based grid data analyser and viewer written in Ruby.

PR:             ports/64249
Submitted by:   Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp>

16:34 pav 

Add ruby-gphys, a multi-purpose class to handle gridded physical
quantities for Ruby.

PR:             ports/64248
Submitted by:   Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp>

23:54 pav 

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>

22:44 pav 

Add cdcl-gtk, a slave port for science/cdcl with enabled Gtk support.

PR:             ports/62872
Submitted by:   Shin'ya Murakami <murashin@edamame.summing.com>

22:35 pav 

Add cdcl, a scientific graphic library for geoscience

PR:             ports/62871
Submitted by:   Shin'ya Murakami <murashin@edamame.summing.com>

22:55 pav 

Unhook hdf* ports in graphics, hook them in science.

03:09 pav 

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>

09:08 glewis 

. Welcome felt to the science category.

PR:             58178
Submitted by:   Pedro F. Giffuni <giffunip@yahoo.com>

04:19 ijliao 

add kmovisto 0.5.1
A real 3-D molecule viewer

02:30 maho 

Remove #
chemtool-devel is now real developer version of chemtool.

12:45 edwin 

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>

09:50 maho 

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).

21:34 kris 

Comment out chemtool-devel, which provides a duplicate chemtool-1.6 version
since the upgrade of chemtool.

Pointy hat to:  maho

01:29 maho 

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!

02:33 maho 

Add new port science/ghemical
a computational chemistry software package

00:09 marcus 

Add gchempaint, a 2D chemical structure editor for GNOME 2.

PR:             50539
Submitted by:   Pav Lucistnik <pav@oook.cz>

00:04 marcus 

Add gchemutils a set of C++ class and GTK+-2 widgets related to chemistry.

PR:             50538
Submitted by:   Pav Lucistnik <pav@oook.cz>

10:22 ijliao 

add mpb 1.4.2
MIT Photonic-Bands

07:28 ijliao 

add libctl 2.2
Control Language Library

17:04 ijliao 

add openbabel 1.100.0
Chemistry file translation program

10:02 ijliao 

add xloops-ginac 0.1.3
A program calculating Feynman diagrams

20:11 ijliao 

add flounder 0.32a
A quick way to visualize regularly spaced 4D data

09:26 ijliao 

add mmtk 2.2
An Open Source program library for molecular simulation applications

PR:             42332
Submitted by:   Glenn Johnson <glennpj@charter.net>

08:39 ijliao 

add glens 0.3
OpenGL gravitational lens simulator

06:52 ijliao 

add bblimage 0.66
A set of software tools for medical image processing

06:53 ijliao 

add mpqc-mpich

PR:             40631
Submitted by:   Nakata Maho <chat95@mbox.kyoto-inet.or.jp>

03:31 ijliao 

add oases 2.2
Ocean Acoustics and Seismic Exploration Synthesis

PR:             38548
Submitted by:   Heiner Strau? <heiner@bilch.com>

03:59 ijliao 

add euler 1.60.4
A program computes with real and complex numbers and matrices