update docs

README.md

 # tutorial-nequip
 
-Build docker image locally:
-```
-docker build -t gitlab-registry.mpcdf.mpg.de/nomad-lab/ai-toolkits/tutorial-query-nomad-archive .
-```
-
-Push the image to the registry:
-```
-docker login gitlab-registry.mpcdf.mpg.de
-docker push gitlab-registry.mpcdf.mpg.de/nomad-lab/ai-toolkits/tutorial-query-nomad-archive
-```
-
+## Development
 
-Run docker image:
+Cloning the source code:
 ```
-docker run --rm -v $PWD:/home/jovyan/ -p 8888:8888 gitlab-registry.mpcdf.mpg.de/nomad-lab/ai-toolkits/tutorial-query-nomad-archive
+git clone git@gitlab.mpcdf.mpg.de:nomad-lab/ai-toolkit/tutorial-query-nomad-archive.git
+cd tutorial-query-nomad-archive
+git checkout refactoring # use a special branch
 ```
 
+Creating a local environment fo the Python dependencies:
 ```bash
 pyenv local 3.9
 python -m venv .venv
@@ -26,3 +19,18 @@ pip-compile  --extra-index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/
 ```
 
 
+Running notebook image and mounting local folder into teh work directory:
+```
+docker run --rm -it -e DOCKER_STACKS_JUPYTER_CMD=notebook -p 8888:8888 -v $PWD:/home/jovyan/work gitlab-registry.mpcdf.mpg.de/nomad-lab/ai-toolkit/tutorial-query-nomad-archive:refactoring
+```
+
+Building the image (advanced):
+```
+docker build --pull --rm -f "Dockerfile" -t gitlab-registry.mpcdf.mpg.de/nomad-lab/ai-toolkit/tutorial-query-nomad-archive:refactoring "."
+```
+
+Running container with sudo feature (advanced):
+```
+docker run --rm -it --user root -e GRANT_SUDO=yes -e DOCKER_STACKS_JUPYTER_CMD=notebook -p 8888:8888 -v $PWD:/home/jovyan/work gitlab-registry.mpcdf.mpg.de/nomad-lab/ai-toolkit/tutorial-query-nomad-archive:refactoring
+```
+