ops: poetrify

README.md

@@ -1,82 +1,85 @@
 # ramanchada2
 
-[![build](https://github.com/h2020charisma/ramanchada2/workflows/build/badge.svg)](https://github.com/h2020charisma/ramanchada2/actions/workflows/build.yml)
+[![CI](https://github.com/h2020charisma/ramanchada2/workflows/CI/badge.svg)](https://github.com/h2020charisma/ramanchada2/actions/workflows/ci.yml)
 [![docs](https://github.com/h2020charisma/ramanchada2/workflows/docs/badge.svg)](https://h2020charisma.github.io/ramanchada2/index.html)
 
-Harmonising Raman spectroscopy: meant to fill the gap between the theoretical Raman analysis and the experimental Raman spectroscopy by providing means to compare data of different origin.
+ramanchada2 is a Python library for Raman spectroscopy harmonization. It is meant to fill the gap between the theoretical Raman analysis and the experimental Raman spectroscopy by providing means to compare data of different origin.
+
+## Quick start
+
+```sh
+pip install ramanchada2
+```
 
 - 📖 [Documentation](https://h2020charisma.github.io/ramanchada2/ramanchada2.html)
 - ⚗️ [Examples](https://github.com/h2020charisma/ramanchada2/tree/main/examples)
 
+## Quick start with Jupyter notebook examples
 
-## Quick start
+[Install Poetry](https://python-poetry.org/docs/#installation).
 
-Clone the repo using https
-```bash
+```sh
 git clone https://github.com/h2020charisma/ramanchada2.git
-```
-or by using ssh
-```
-git clone [email protected]:h2020charisma/ramanchada2.git
+cd ramanchada2
+poetry install --with=jupyter
+poetry run jupyter notebook examples
 ```
 
+The browser should open Jupyter automatically.
 
-and go inside
-```bash
-cd ramanchada2  # make sure you are in ramanchada2 directory
-```
+## Development
 
-Make sure you have virtualenv module and create a virtual environment
-```bash
-virtualenv .venv  # create virtual environment
+This project uses [Poetry](https://python-poetry.org/) for dependency management. Make sure to [have it installed](https://python-poetry.org/docs/#installation). Also, using [pyenv](https://github.com/pyenv/pyenv) on UNIX/MacOS or [pyenv-win](https://github.com/pyenv-win/pyenv-win) for Windows is recommended for Python version management (the default Python version for this project is set in the `.python-version` file).
 
-# activate the virtual environment
-source .venv/bin/activate  # on linux
-.venv\Scripts\activate  # on windows
-```
+For better Visual Studio Code integration it may be helpful to set `poetry config virtualenvs.in-project true`.
 
-Ramanchada package and all dependencies can be installed by runing:
+### Setting up
 
-```bash
-pip install -r requirements-dev.txt  # install development environment
-hash -r  # make sure the newly created environment is in use
+```sh
+git clone https://github.com/h2020charisma/ramanchada2.git
+cd ramanchada2
+poetry install
 ```
 
-In order to create a jupyter kernel, from the already activated virtual environment execute following command:
+### Basic usage
 
-```bash
-ipython kernel install --name=ramanchada2 --user  # set up a new jupyter kernel
 ```
-
-The kernel can be removed by:
-```bash
-jupyter kernelspec remove ramanchada2
+poetry shell
+python
+>>> import ramanchada2
 ```
 
-A jupyter server can be started from anywhere -- no need to activate the virtual environment:
-```bash
-jupyter-notebook
+### Running the linters & tests
+
+Everything:
 ```
-or
-```bash
-jupyter-lab
+poetry run tox
 ```
 
-A web browser with jupyter should start automaticaly.
-
+Linter only:
+```
+poetry run tox -e flake8
+```
 
-## Quick start with Conda
+### Playing with the Jupyter notebooks
 
-[Install Miniconda](https://conda.io/projects/conda/en/latest/user-guide/install/index.html) and, optionally, Mamba:
 ```
-conda install mamba -n base -c conda-forge
+poetry install --with=jupyter
 ```
-
-Run the following. If you haven't installed Mamba, replace `mamba` with `conda`.
+then
+```
+poetry run jupyter notebook examples
+```
+or
+```
+poetry run jupyter lab examples
+```
+or
 ```
-mamba env update -f environment.yml
-conda activate ramanchada2
-jupyter notebook
+poetry shell
 ```
----
+and running `jupyter notebook` or `jupyter lab` from there.
+
+## Acknowledgements
+
 🇪🇺 This project has received funding from the European Union’s Horizon 2020 research and innovation program under [grant agreement No. 952921](https://cordis.europa.eu/project/id/952921).

README.pypi → README.pypi.md

@@ -1,11 +1,10 @@
 # ramanchada2
 
-ramanchada2 is meant to fill the gap between the theoretical Raman analysis and the experimental Raman spectroscopy by providing means to compare data of different origin.
+ramanchada2 is a Python library for Raman spectroscopy harmonization. It is meant to fill the gap between the theoretical Raman analysis and the experimental Raman spectroscopy by providing means to compare data of different origin.
 
 For more information, see:
 * https://github.com/h2020charisma/ramanchada2
 * https://h2020charisma.github.io/ramanchada2/ramanchada2.html
 * https://github.com/h2020charisma/ramanchada2/tree/main/examples
 
----
 🇪🇺 This project has received funding from the European Union’s Horizon 2020 research and innovation program under [grant agreement No. 952921](https://cordis.europa.eu/project/id/952921).