There are some publicly accessible resources available to assist in getting started learning and using Python for scientific research computing. Note the How-To’s and Training section in the sidebar for additional details and in-person training opportunities.
- Getting started with Python
- Python scientific computing with Scipy
- Python Data Analysis Library
- Learn Python the Hard Way
- Biopython tutorial
Jupyter Notebooks are web interfaces to an interpreter shell such as Python. They are most used by data scientists who would like to experiment with their code and easily generate charts and graphs. At Fred Hutch there are at least 4 ways how you can use Jupyter Notebooks, including the latest incarnation called ‘Jupyter Lab’. You can find more information about Jupyter and related technologies here at the Project Jupyter site.
Jupyter Notebook on your computer
Install the software on your own computer install Jupyter and run locally.
Current Python Builds on
SciComp maintains a current list of the various builds of Python available on
gizmo for use by researchers. Each build has different modules installed and versions of Python itself, thus identifying if an existing Python build matches your needs is a first step to using Python on
gizmo. If you do not see a build that meets your needs here, then contact
scicomp with the specific needs of your project.
Just load a Python distribution maintained by SciComp and run Jupyter lab:
petersen@rhino1:~$ ml Python/3.6.7-foss-2016b-fh2 petersen@rhino1:~$ jupyter lab --ip=$(hostname) --port=$(fhfreeport) --no-browser ... or simply use the 'jupyterlab' wrapper script: petersen@rhino1:~$ jupyterlab
Then connect to the URL, copying the link given by the previous command, which looks as follows:
Copy/paste this URL into your browser when you connect for the first time, to login with a token: http://rhino1:11112/?token=0eee692be6c81c1061db
From Rhino execute the
grabjupyter command and a node will be allocated on Gizmo after you selected the CPUs and number of days you need the node.
Jupyter on Jupyterhub
SciComp maintains an installation of Jupyterhub. Login with your Hutch Net Id. (Jupyterhub does not have the latest Python packages)
Also only the first method allows you to install your own python packages as administrator of your machine.
The other 3 methods require you to either request a package from Scientific Computing or install the package in your home directory with the –user option (e.g.
pip3 install --upgrade --user mypkg) or to create a virtual Python environment, for example:
petersen@rhino1:~$ ml Python/3.6.7-foss-2016b-fh2 petersen@rhino1:~$ python3 -m venv ~/mypython petersen@rhino1:~$ source ~/mypython/bin/activate (mypython) petersen@rhino1:~$ jupyter lab (mypython) petersen@rhino1:~$ deactivate petersen@rhino1:~$