updated README

Author: simongravelle

README.md

@@ -1,4 +1,4 @@
-# NMRforMD
+# NMRDfromMD
 
 Dipolar Nuclear Magnetic Resonance from Molecular Dynamics
 (NMRDfromMD) simulations is a Python toolkit designed for the computation of

developers/README.md

@@ -0,0 +1,89 @@
+# NMRforMD - developer section
+
+<a href="webp">
+  <img src="../docs/source/figures/logo/logo-b.png" align="right" width="30%"/>
+</a>
+
+## How to
+
+If you intend to make modification to the code, please raise an issue or send me an email
+first. Then, fork the repository, apply your changes, then make a pull request
+that will be reviewed.
+
+## Build the documentation
+
+Clone the repository as follow:
+
+``` bash
+   git clone https://github.com/simongravelle/nmrformd.git --recurse-submodule
+```
+
+Build the documentation locally from the [docs](docs/) folder by typing:
+
+``` bash
+    pip3 install -r requirements.txt
+    make clean
+    make html
+```
+
+## Publish new pip version (1)
+
+Publish a new pip version by following those
+[instructions](https://gist.github.com/arsho/fc651bfadd8a0f42be72156fd21bd8a9).
+
+1 - if necessary, update *docs/source/conf.py*, *CITATION.cff*, and *setup.py*
+
+2 - Create source distribution using
+
+``` bash
+    python3 setup.py sdist
+```
+
+3 - Create a new release on Github using the generated tar.gz file located in dist/
+
+4 - Update the link in setup.py
+
+5 - Create wheel using:
+
+``` bash
+    python3 setup.py bdist_wheel
+```
+
+6 - Upload to pypi using (with the appropriate number):
+
+``` bash
+    twine upload dist/nmrformd-0.1.0*
+```
+
+![Powered by MDAnalysis](https://img.shields.io/badge/powered%20by-MDAnalysis-orange.svg?logoWidth=16&logo=data:image/x-icon;base64,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)
+![readthedoc](https://readthedocs.org/projects/nmrformd/badge/?version=latest)
+
+## Publish new pip version (2)
+
+This instruction are from [this page](https://gist.github.com/arsho/fc651bfadd8a0f42be72156fd21bd8a9).
+
+Install last version using 
+
+```bash
+    pip install -e .
+```
+
+1 - Update version in conf.py
+
+2 - Update CITATION.cff
+
+3 - Update setup.py
+
+4 - Update CHANGELOG
+
+5 - Create source distribution using python3 setup.py sdist
+
+6 - Create a new release on Github using the generated tar.gz file
+
+7 - Update the link in setup.py
+
+8 - Create wheel using python3 setup.py bdist_wheel
+
+9 - Upload to pypi using twine upload dist/nmrformd-0.1.0* \
+
+