This repository shows a demonstration of the APT analysis tools paraprobe-toolbox and compositionspace along with pyiron.
The easiest way to use this repository is launch it through mybinder:
To set it up locally, you need conda installed. It is recommended to first install mamba:
conda install mamba
The rest of the commands can be run either with conda or mamba. First clone this repository.
git clone https://github.com/srmnitc/pyiron-apt.git
Create an environment using the provided environment file. For more conda commands, see here.
cd pyiron-apt
mamba env create -f binder/environment.yml
Then activate the environment,
conda activate apt
Do the pre-setup for pyiron
mv binder/.pyiron ~/
mkdir ~/pyiron
cp -rf pyiron/resources ~/pyiron/
You might need do chmod u+x filename for the files in the pyiron/resources/paraprobe-ranger/bin folder.
We are ready to run the code now.
Start a jupyter instance by,
jupyter lab