git clone https://github.com/DAP93/SEI_builder.git
- create a virtual environment
venv_sei
# python3 -m venv <Virtual environment name>
python3 -m venv venv_sei
- activate it
source venv_sei/bin/activate
- move in the SEI Builder folder
cd SEI_builder
- downlaod and install the requiremnts with
pip
(Package Installer for Python)
pip install -r requirements.txt
- check if all the jupyter widget are working:
jupyter labextension list
# JupyterLab v3.1.17
# /.../venv_sei/share/jupyter/labextensions
# nglview-js-widgets v3.0.1 enabled OK
# jupyterlab-plotly v5.3.1 enabled OK
# @jupyter-widgets/jupyterlab-manager v3.0.1 enabled OK (python, jupyterlab_widgets)
# @bokeh/jupyter_bokeh v3.0.4 enabled OK (python, jupyter_bokeh)
if the line nglview-js-widgets v3.0.1 enabled OK
is missing, run the following command:
$ pip install --force-reinstall nglview
git clone https://github.com/DAP93/SEI_builder.git
- create a virtual environment
venv_sei
using environment fileenvironment.yml
conda env create -f SEI_builder/environment.yml
- activate it
conda activate venv_sei
Access to Material Project and follow the istruction on the documentation
- Run the script replacing
<MATERIAL_PROJECT_KEY>
with the API key got in the previus step.
python3 mpinterfaces_setup.py -k <MATERIAL_PROJECT_KEY>
The workflow can be run interactively using the web-based interactive development environment JupyterLab
Start JupyterLab using:
jupyter lab
For more option to control your interface check JupyterLab documentation
-
Open the notebook
1-SEI_Builder-step1.ipynb
. -
Follow and execute all text blocks (with the explanations) and the code blocks.
The workflow is under test and analysis; thus, we do not accept contributions for the moment.
The code is available under the MIT license.
๐๏ธ๏ธ๏ธ CREDITS
This project has received funding from the European Unionโs Horizon 2020 research and innovation programme under grant agreement No 957189. The project is part of BATTERY 2030+, the large-scale European research initiative for inventing the sustainable batteries of the future.