Commit graph

201 commits

Author SHA1 Message Date
Wen Heping
a850098cd5 R-cran-AMORE was born to release the TAO robust neural network algorithm
to the R users. It has grown and I think it can be of interest for
the users wanting to implement their own training algorithms as well as
for those others whose needs lye only in the "user space".

WWW: http://rwiki.sciviews.org/doku.php?id=packages:cran:amore
2011-03-07 10:57:09 +00:00
Wen Heping
ba88c81733 The SciMath project includes packages to support scientific and
mathematical calculations, beyond the capabilities offered by SciPy.
    * enthought.interpolate
    * enthought.mathematics
    * enthought.units

WWW: http://pypi.python.org/pypi/SciMath/

PR:		ports/154351
Submitted by:	Wen Heping (myself)
2011-02-20 03:54:04 +00:00
Wen Heping
90d4a1b864 Veusz is a GUI scientific plotting and graphing package. It
is designed to produce publication-ready Postscript or PDF
output. SVG, EMF and bitmap formats export are also supported.
The program runs under Unix/Linux, Windows or Mac OS X, and
binaries are provided. Data can be read from text, CSV or FITS
files, and data can be manipulated or examined from within the
application.

WWW: http://home.gna.org/veusz/

PR:		ports/153686
Submitted by:	Stas Timokhin <devel@stasyan.com>
2011-01-06 02:39:32 +00:00
Wen Heping
7aaaa71110 Geo::Coordinates::Converter is a simple converter of geo coordinates, the
format and datum of geo coordinates are simply converted. when it is
insufficient in the coordinate system and the format of the standard, it
is possible to add it easily.

WWW:    http://search.cpan.org/dist/Geo-Coordinates-Converter/
2010-12-29 08:50:40 +00:00
Max Brazhnikov
10979612c2 Connect py-biolccc 2010-11-13 21:41:03 +00:00
Sahil Tandon
807ae2afd6 Objects of class Physics::Unit define units of measurement that correspond
to physical quantities.  This module allows you to manipulate these units,
generate new derived units from other units, and convert from one unit
to another.

WWW: http://search.cpan.org/dist/Physics-Unit/

PR:		ports/150245
Submitted by:	Frederic Culot <frederic@culot.org>
2010-09-09 00:26:13 +00:00
Sahil Tandon
a5408a406d epte is a curses-based periodic table of the elements. It provides a
set of examples of the basic sets of constants and procedures needed
to understand the behavior of matter.

WWW: http://www.toddmiller.com/epte/

PR:		ports/150183
Submitted by:	Frederic Culot <frederic@culot.org>
2010-09-08 03:09:31 +00:00
Max Brazhnikov
3ef6616777 Connect kst2 2010-08-23 18:15:03 +00:00
Ashish SHUKLA
7d375bc1fd - Remove the port from 'science' category.
PR:		ports/146513
Approved by:	pgj (mentor)
2010-07-21 09:53:14 +00:00
Ashish SHUKLA
d976a44c9c QElectroTech is a Qt4 application to design electric diagrams. It uses XML
files for elements and diagrams, and includes both a diagram editor and an
element editor.

WWW:	http://qelectrotech.org/

PR:		ports/146513
Submitted by:	Gvozdikov Veniamin <g.veniamin at googlemail.com>
Approved by:	tabthorpe (mentor)
2010-07-21 03:27:25 +00:00
Wen Heping
3bc13a27ce JStrack is written by and for people who are in areas that are
prone to hits from tropical systems (currently only in the Tropical
Atlantic). It's intended to display the NHC/TPC data and give you
what you need to make decisions, etc.. It does NOT, nor will it ever,
attempt to do any forecasting on its own---I leave that to the gurus
at the NHC/TPC.

WWW: http://www.jstrack.org/jstrack/

PR:		ports/148208
Submitted by:	Chris Rees <utisoft@gmail.com>
Feature safe:	yes
2010-06-29 01:22:16 +00:00
Li-Wen Hsu
e4d1bb5df1 Add netcdf3-ftn , netCDF (network Common Data Form), with Fortran
support.

Submitted by:	Sunpoet Po-Chuan Hsieh <sunpoet AT sunpoet.net>
2010-05-20 14:21:43 +00:00
Wen Heping
cc8da973ab The massXpert project aims at providing (bio)chemists with a software
package allowing the following:

* User-specific atom definitions and polymer chemistry definitions;
* Powerful sequence editing with user-defined glyphs for each monomer
and monomer chemical modification. Multi-region selections;
* Polymer sequence chemical/enzymatic cleavage;
* Intramolecular cross-linking, like disulfide bonds with total resolution
of the peptides generated upon enzymatic cleavage;
* Gas-phase fragmentation of oligomers;
* Mass-to-charge ratio calculations with inline change of ionization agent;
* Calculation of net electrical charge and of isoelectric point (even by
taking into account monomer modifications if polymer is a protein);
* Simulation of isotopic patterns for any chemical formula and z charge;
* A number of plugins allow 1) translation of the sequence from one format
to another (using a dictionary, like between the 1-letter code and the 3-letter
code of proteins) 2) conversion of number format according to any localized
number format 3) sort mass lists.

PR:		ports/146564
Submitted by:	Gvozdikov Veniamin <g.veniamin@googlemail.com>
2010-05-20 09:43:14 +00:00
Wen Heping
8d3cf83cc4 PyNN(pronounced 'pine') is a simulator-independent language for
building neuronal network models.

WWW: http://neuralensemble.org/trac/PyNN
2010-05-19 05:31:44 +00:00
Wen Heping
d85961f518 - Remove pyNN and re-add as pynn
Reviewed by:	danfe@
2010-05-19 00:14:14 +00:00
Wen Heping
e424150d98 PyNN(pronounced 'pine') is a simulator-independent language for
building neuronal network models.

WWW: http://neuralensemble.org/trac/PyNN

PR:		ports/146664
Submitted by:	Ju Pengfei <jupengfei@gmail.com>
2010-05-18 08:14:12 +00:00
Beat Gaetzi
d717f25f58 Bddsolve is a BDD-based tool for solving satisfiability and reachability
problems.  It uses the BDD package Buddy as a backend.

WWW: http://www.win.tue.nl/~wieger/bddsolve/

Submitted by:	ed@
2010-05-12 13:25:37 +00:00
Martin Wilke
83e3ba00ba Perl modules for molecular chemistry
WWW:	http://search.cpan.org/dist/PerlMol/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:36:26 +00:00
Martin Wilke
a6af1d634f Perl module which parses a SMILES (Simplified Molecular Input Line Entry
Specification) string.

WWW:	http://search.cpan.org/dist/Chemistry-File-SMILES/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:35:47 +00:00
Martin Wilke
e576408592 Perl module implements an object class for representing internal
coordinates and provides methods for converting them to Cartesian
coordinates.

WWW:	http://search.cpan.org/dist/Chemistry-InternalCoords/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:35:23 +00:00
Martin Wilke
4af115e4ea Perl module which will parse a SMARTS (SMiles ARbitrary Target Specification)
string, generating a Chemistry::Pattern object. It is a file I/O driver for
the PerlMol toolkit.

WWW:	http://search.cpan.org/dist/Chemistry-File-SMARTS/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:34:39 +00:00
Martin Wilke
4eb372dfc7 Perl module which generates a three-dimensional molecular structure from a
connection table, such as that obtained by a 2D representation of the
molecule or from a SMILES string.

WWW:	http://search.cpan.org/dist/Chemistry-3DBuilder/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net
2010-04-02 15:33:52 +00:00
Martin Wilke
7edfd85264 SLN linear notation parser/writer
WWW:	http://search.cpan.org/dist/Chemistry-File-SLN/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:33:24 +00:00
Martin Wilke
4deddb544f Perl module which will parse a SMARTS (SMiles ARbitrary Target Specification)
string, generating a Chemistry::Pattern object. It is a file I/O driver for
the PerlMol toolkit.

WWW:	http://search.cpan.org/dist/Chemistry-File-SMARTS/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:32:52 +00:00
Martin Wilke
31412b24c1 MOPAC 6 input file reader/writer
WWW:	http://search.cpan.org/dist/Chemistry-File-Mopac/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:32:24 +00:00
Martin Wilke
0c0fc43cf8 Explicit chemical reactions
WWW:	http://search.cpan.org/dist/Chemistry-Raction/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:32:03 +00:00
Martin Wilke
e686fdf65d Match molecule by formula
WWW:	http://search.cpan.org/dist/Chemistry-ForumulaPattern/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:31:34 +00:00
Martin Wilke
c85c1cf3b1 Select atoms in macromolecule
WWW:	http://search.cpan.org/dist/Chemistry-MidasPattern/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:29:58 +00:00
Martin Wilke
c19a7ca028 Perl molecular awk interpreter
WWW:	http://search.cpan.org/dist/Chemistry-Mok/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:29:35 +00:00
Martin Wilke
4b9751f871 XYZ molecule format reader/writer
WWW:	http://search.cpan.org/dist/Chemistry-File-XYZ/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:28:42 +00:00
Martin Wilke
3e051c0a76 Generate VRML models for molecules
WWW:	http://search.cpan.org/dist/Chemistry-File-VRML/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:28:04 +00:00
Martin Wilke
b0bc65a895 Perl module which provides some basic methods for representing a ring.
WWW:	http://search.cpan.org/dist/Chemistry-Ring/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:27:22 +00:00
Martin Wilke
2f7bf2888c Perl module which contains the exact mass data from the table of the isotopes.
WWW:	http://search.cpan.org/dist/Chemistry-Isotope/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:26:37 +00:00
Martin Wilke
be4a09a2d8 Perl module which implements basic pattern matching for molecules.
WWW:	http://search.cpan.org/dist/Chemistry-Pattern/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:25:56 +00:00
Martin Wilke
b9c5628b0d Perl module which provides functions for "canonicalizing" a molecular
structure; that is, to number the atoms in a unique way regardless of the
input order.

WWW:	http://search.cpan.org/dist/Chemistry-Canonicalize/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:25:12 +00:00
Martin Wilke
5fd8c153ed Perl module which provides functions for detecting the bonds in a molecule from
its 3D coordinates by using simple cutoffs, and for guessing the formal bond
orders.

WWW:	http://search.cpan.org/dist/Chemistry-Bond-Find/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net>
2010-04-02 15:24:14 +00:00
Martin Wilke
3ab2c72352 The HDF Java Products include a visual tool for browsing and editing HDF
files, a Java package providing an object-oriented interface to HDF data
objects, and Java Native Interfaces to the standard HDF libraries.

WWW: http://www.hdfgroup.org/hdf-java-html/index.html

PR:		ports/143859
Submitted by:	rfarmer at predatorlabs.net
2010-02-13 11:21:53 +00:00
Wen Heping
551d43b724 Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation
software package developed at MIT to model electromagnetic systems,
along with our MPB eigenmode package.

WWW: http://ab-initio.mit.edu/wiki/index.php/Meep

PR:		ports/142158
Submitted by:	Stas Timokhin <devel@stasyan.com>
2010-01-25 00:27:10 +00:00
Philip M. Gollucci
5eccbb21e0 - remove broken/expired ports@ ports
Approved by: portmgr (miwi)

audio/ccaudio||2010-01-18|Has expired: has been broken for 4 months
audio/py-libmpdclient||2010-01-18|Has expired: has been broken for 3 months
chinese/gbk2uni||2010-01-18|Has expired: has been broken for 6 months
chinese/iiimf-le-xcin||2010-01-18|Has expired: has been broken for 3 months
devel/adabindx||2010-01-18|Has expired: has been broken for 3 months
devel/agide||2010-01-18|Has expired: has been broken for 6 months
devel/asis||2010-01-18|Has expired: has been broken for 3 months
devel/callgrind||2010-01-18|Has expired: Included in devel/valgrind
devel/florist||2010-01-18|Has expired: has been broken for 3 months
editors/xml2rfc-xxe||2010-01-18|Has expired: has been broken for 4 months
graphics/gephex||2010-01-18|Has expired: has been broken for 3 months
graphics/irit||2010-01-18|Has expired: has been broken for 3 months
graphics/pixieplus||2010-01-18|Has expired: has been broken for 6 months
japanese/expect||2010-01-18|Has expired: has been broken for 3 months
lang/pnetc||2010-01-18|Has expired: has been broken for 5 months
mail/libnewmail||2010-01-18|Has expired: has been broken for 3 months
net-mgmt/flowscan||2010-01-18|Has expired: has been broken for 5 months
net/astmanproxy||2010-01-18|Has expired: has been broken for 3 months
palm/prc-tools||2010-01-18|Has expired: has been broken for 4 months
print/latex-msc||2010-01-18|Has expired: has been broken for 3 months
science/xloops-ginac||2010-01-18|Has expired: has been broken for 3 months
shells/bush||2010-01-18|Has expired: has been broken for 3 months
textproc/iiimf-gnome-im-switcher||2010-01-18|Has expired: has been broken for 4 months
textproc/iiimf-gtk||2010-01-18|Has expired: has been broken for 3 months
x11-toolkits/gtkada-devel||2010-01-18|Has expired: has been broken for 3 months
x11-toolkits/gtkada||2010-01-18|Has expired: has been broken for 3 months
x11-wm/ion-2||2010-01-18|Has expired: has been broken for 4 months
2010-01-18 06:46:44 +00:00
Wen Heping
dd998fd1cb Geo::WebService::Elevation::USGS executes elevation queries against the
United States Geological Survey's web server. You provide the latitude
and longitude in degrees, with south latitude and west longitude being
negative. The return is typically a hash containing the data you want.
Query errors are exceptions by default, though the object can be configured
to signal an error by an undef response, with the error retrievable from
the 'error' attribute.

WWW: http://search.cpan.org/dist/Geo-WebService-Elevation-USGS/
2010-01-15 07:20:43 +00:00
Dmitry Marakasov
c044e7dcac qtResistors - calculate resistance of resistor by the colors on the resistor
WWW:	http://qt-apps.org/content/show.php/qtResistors?content=118297

PR:		142554
Submitted by:	zloidemon <g.veniamin@googlemail.com>
2010-01-13 19:26:59 +00:00
Wen Heping
f95978f2d1 py-DendroPy is a python library for phylogenetic scripting,
simulation, data processing and manipulation.

WWW:    http://packages.python.org/DendroPy/
2010-01-09 12:19:58 +00:00
Gabor Pali
80bc5be124 This is a collection of Haskell data structures and algorithms useful for
building bioinformatics-related tools and utilities.
Current list of features includes: a Sequence data type supporting
protein and nucleotide sequences and conversion between them.

WWW: http://blog.malde.org/index.php/the-haskell-bioinformatics-library/

PR:		ports/142187
Submitted by:	Jacula Modyun <jacula(at)gmail.com>
2010-01-03 05:02:13 +00:00
Wen Heping
085fe92c93 Harminv is a free program (and accompanying library) to solve the problem
of harmonic inversion - given a discrete-time, finite-length signal
that consists of a sum of finitely-many sinusoids (possibly exponentially
decaying) in a given bandwidth, it determines the frequencies, decay
constants, amplitudes, and phases of those sinusoids.

WWW: http://ab-initio.mit.edu/wiki/index.php/Harminv

PR:		ports/142154
Submitted by:	Stas Timokhin <devel@stasyan.com>
2010-01-02 02:54:00 +00:00
Wen Heping
81c2ba2937 PyBrain is a modular Machine Learning Library for Python.
It's goal is to offer flexible, easy-to-use yet still powerful
algorithms for Machine Learning Tasks and a variety of
predefined environments to test and compare your algorithms.

PyBrain is short for Python-Based Reinforcement Learning,
Artificial Intelligence and Neural Network Library. In fact,
we came up with the name first and later reverse-engineerer
this quite descriptive "Backronym".

WWW:    http://pybrain.org/
2009-11-19 13:44:38 +00:00
Wen Heping
473d697402 libkml is a library for use with applications that want to
parse, generate and operate on KML. It is an implementation
of the OGC KML 2.2 standard.

WWW: http://code.google.com/p/libkml/

Approved by:	miwi(mentor)
2009-10-07 11:10:21 +00:00
Martin Wilke
5b58e2bcf9 mol2ps is a freely available command-line utility program which reads
molecular structure files in different formats and generates
Postscript output for 2D display. The Postscript file can then be used
e.g. for creating a bitmap file, using a Postscript interpreter like
Ghostscript.

WWW: http://merian.pch.univie.ac.at/~nhaider/cheminf/mol2ps.html

PR:		ports/138673
Feature safe:	yes
Submitted by:	Fernan Aguero <fernan at iib.unsam.edu.ar>
2009-09-19 11:02:46 +00:00
Martin Wilke
9d19a6b116 Checkmol is a command-line utility program which reads molecular
structure files in different formats and analyzes the input
molecule for the presence of various functional groups and structural
elements. At present, approx. 200 different functional groups are
recognized. This output can be easily placed into a database table,
permitting the creation of chemical databases with a functional group
search option. Checkmol also outputs a set of statistical values derived
from a given molecule, which can also be used for quick retrieval from a
database. These values include: the number of atoms, bonds, and rings,
the number of differently hybridized carbon, oxgen, and nitrogen atoms,
the number of C=O double bonds, the number of rings of different sizes,
the number of rings containing nitrogen, oxygen, sulfur, the number of
aromatic rings, the number of heterocyclic rings, etc. The combination
of all of these values for a given molecule represents some kind of
"fingerprint" which is useful for rapid pre-selection in a database
structure/substructure search prior to a full atom-by-atom match.

WWW: http://merian.pch.univie.ac.at/~nhaider/cheminf/cmmm.html

PR:		ports/138670
Feature safe:yes
Submitted by:	Fernan Aguero <fernan at iib.unsam.edu.ar>
2009-09-19 09:53:55 +00:00
Martin Wilke
728dd47698 libquantum is a C library for the simulation of quantum
mechanics, with a special focus laid to quantum computing.
It started as a pure quantum computer simulator, but
support for general quantum simulation has been recently
added.

WWW:	http://www.libquantum.de/

PR:		ports/137468
Submitted by:	Wen Heping <wenheping at gmail.com>
2009-08-14 20:02:07 +00:00
Maho Nakata
740db18f37 Remove science/dft++. Not actively maintained the original site. Old
style coding with lots of warnings, and build error with gcc44.

Also suggested by: gerald@
2009-08-11 05:14:53 +00:00