Scientific Python

Description

ScientificPython is a collection of Python modules that are useful for scientific computing. In this collection you will find modules that cover basic geometry (vectors, tensors, transformations, vector and tensor fields), quaternions, automatic derivatives, (linear) interpolation, polynomials, elementary statistics, nonlinear least-squares fits, unit calculations, Fortran-compatible text formatting, 3D visualization via VRML, and two Tk widgets for simple line plots and 3D wireframe models. There are also interfaces to the netCDF library (portable structured binary files), to MPI (Message Passing Interface, message-based parallel programming), and to BSPlib (Bulk Synchronous Parallel programming).

Usage

Upcoming modulesystem change alert!

Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.

You can test the new version now by adding a line

source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules

to your script before loading a module. Then, you can list all versions of scientificpython and load default version of scientificpython as

module avail scientificpython/ # list available modules
module load scientificpython   # load (default) module

If you wish to keep up to the current system, it is still possible. Simply list all modules by

module avail scientificpython

and choose explicit version you want to use. "-py-2.x" is determining Python version with which is module build. Module "load" automatically all others required files.

Notice: This application supports parallel computing (MPI, OpenMP) which can have weird consequences. For more details about parallel computing visit the page Parallelization.

Example of running

skirit$ module add scientificpython-py2.6-mpi
skirit$ mpirun -mca btl ^gm -np 2 mpipython -V
Python 2.6.2

By option "-mca btl ^gm", warnings about unavailable myrinet (at machine without myrinet) will be switched off.

Documentation

On-line manual is available

Homepage

URL: http://dirac.cnrs-orleans.fr/plone/software/scientificpython