Jupyter Notebooks at NERSC
NERSC has provided a JupyterHub instance for quite some time to all NERSC users.
It is currently running on a dedicated large-memory node on Cori, so now it can access also data on
$SCRATCH, not only
$HOME. See their documentation
Customize your Python environment
NERSC provides Anaconda in a Ubuntu container, of course the user doesn't have permission to write to the Anaconda folder to install new packages.
The easiest way is to install a custom Python environment is to create another conda environment and then register the Kernel with Jupyter.
Create a new conda environment, best choice is
/project if you have one, otherwise
$HOME would work.
Access http://jupyter.nersc.gov, open a terminal with "New"->"Terminal".
conda create --prefix $HOME/myconda python=3.6 ipykernel
This is the minimal requirement, you could just add
anaconda to get all the latest packages, you can also specify
conda-forge to install other packages, e.g.:
source activate myconda conda install -c conda-forge healpy
Register the kernel with the Jupyter Notebook:
ipython kernel install --name myconda --user
The name of the kernel specified here doesn't need to be the same as the conda environment name, but it is simpler.
Once the conda environment is active, you can also install packages with
conda install pip pip install somepackage