Python for Scientific Computing I
Python for Scientific Computing I
Modern Researcher 501 Workshop Series February 10, 2021
Presented by: Nicholas A. Danes, PhD Computational Scientist Cyber Infrastructure & Advanced Research Computing (ITS)
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Goals
? Introduce researchers to Python, an interpreted programming language, as an option for scientific computing
? Show overview on how to setup your own Python environment on Mines' HPC systems
? Highlight how Python can be used as an alternative (!= replacement) to MATLAB
? Spotlight advanced Python capacities for HPC (Day II!)
? "Gluing" to other codes in C ? Distributed memory computing
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A brief overview of Python
? Created by Guido van Rossum at Stichting Mathematisch Centrum in the early 1990's
? Open source
? Free (as in gratis) to use ? Free to modify and change code to suit your needs (with licensing
requirements if you distribute)
? Used not only for scientific computing:
? Web Development (e.g. Django) ? Games Development ? Desktop Graphic User Interfaces (e.g. GTK+) ? And more!
Source:
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Quick Note on Python 2.7 vs 3.x
? Python 2.7. was end-of-life (EOL) on January 1st, 2020 ? Many Linux distributions are no longer shipping Python 2.7
? Make the transition to Python 3.x as soon as possible!
? Some packages have not made the transition yet ? As of now, Python 2.7 still available on Mines HPC systems
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Getting started Python on your local system
? Linux
? Most up-to-date Linux distros ship Python 3 by default ? Manage library installs using the python package mangager pip:
? e.g. $ pip install --user numpy
? MacOS
? Python 2.7 ships by default in MacOS Catalina ^& ? Python 3.x available through Xcode ? Homebrew or MacPorts can also provide Python 3 (Xcode required)
? Windows
? Windows Subsystem for Linux can provide a Linux shell on your windows machine to use Python
? Python can installed by going to
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