README.md

Harmonising Raman Spectroscopy

RamanChada v2

Clone the repo and go inside

git clone [email protected]:h2020charisma/ramanchada2.git
cd ramanchada2 #make sure you are in ramanchada2 directory

Create a virtual environment

virtualenv .venv # create virtual environment
source .venv/bin/activate # activate the virtual environment

Ramanchada package and all dependencies can be installed by runing:

pip install -r requirements.txt # install development environment
hash -r # make sure the newly created environment is in use

In order to create a jupyter kernel, from the already activated virtual environment execute following command:

ipython kernel install --name=ramanchada2 --user # set up a new jupyter kernel

The kernel can be removed by:

jupyter kernelspec remove ramanchada2

A jupyter server can be started from anywhere -- no need to activate the virtual environment:

jupyter-notebook

or

jupyter-lab

A web browser with jupyter should start automaticaly.

Quick start with Conda

Install Miniconda and, optionally, Mamba:

conda install mamba -n base -c conda-forge

Run the following. If you haven't installed Mamba, replace mamba with conda.

mamba env update -f environment.yml
conda activate ramanchada2
jupyter notebook