For Scientific Developing

[Pages:33]for Scientific Developing

BioHPC Training 10/19/2016

biohpc-help@utsouthwestern.edu

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Python: a popular high-level language

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Learning Python from scratch

Free, interactive web-based tutorial Great for new programmers

Free web book. Exercise based, comprehensive.

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Python topics to be covered

- Virtual Environment & Anaconda - Ipython Notebook - NumPy/SciPy - Matplotlib - Interactive plotting using Bokeh - Turn python package to web app

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Online PySCA ? An ongoing case study

A published Python package by Rangananthan and Reynolds from GCSB - Command line based - Nice IPython Notebook tutorial - Detailed documentation

Challenges: - Use from command line - Dependencies - Interactive presentation - Broader impact

Solutions: - A python web app

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Python: pros

A clean, easy to learn language Huge number of community created packages Booming popularity for scientific computing Python bindings / API for a lot of other software Open source ? Free!

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Python: cons

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Dependency Hell

Affects all modern languages, especially interpreted ones.

Python especially challenging: ? Huge number of 3rd party packages ? Rapidly changing APIs ? Scientific packages need non-python

dependencies. Solutions - Anaconda / virtualenv etc...

Anaconda

Manages python packages AND their non-python dependencies. Allows creation of multiple environments, with versions you need for specific projects. Download for your own machine (free):

Use on BioHPC cluster or clients:

module load python/2.7.x-anaconda module load python/3.4.x-anaconda Other python modules are deprecated

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