Python

Python is an integrated technical computing environment that combines sophisticated computation, advanced graphics and visualization, and a high-level programming language. 

Rivanna:  The default Python is required for system purposes and is generally too old for applications.  Python is offered as Python 2.7 or 3.3 with basic external packages installed.  We offer Python through the Anaconda distribution from Continuum Analytics.  Anaconda bundles a large number of popular modules and packages, as well as the Spyder IDE, an iPython console, and Jupyter notebooks.  To see all available versions, run

module spider anaconda

Two versions are available, anaconda2 (Python 2.7.11) and anaconda3 (version 3).

Although large number of packages are included in Anaconda, if you need a package not available in the bundle you can install it yourself with pip

pip install --user yourpackage

The --user option will install it into your home directory.  It is bound to a particular version and will have to be reinstalled if Anaconda is upgraded.

Sample SLURM script

#!/bin/bash
#SBATCH -n 1
#SBATCH -t 01:00:00
#SBATCH -o myRprog.out
#SBATCH -p standard
#SBATCH -A mygroup

module load anaconda3

python myscript.py