Add Docker for flexibility and Readme

[IritaSee]

This pull request introduces a complete Docker-based workflow for building and running the DrugSimulation project in a Linux environment. It adds configuration files for Docker, scripts to automate building and running simulations, and updates to ignore unnecessary files in Docker contexts. The main goal is to streamline development and ensure consistent builds and execution across different environments.

The most important changes are:

Docker environment setup:

• Added a new docker-compose.yml file to orchestrate building and running the drugsim-linux service with proper volume mounts and working directory setup.
• Created a docker/linux/Dockerfile that defines a reproducible Ubuntu 22.04-based environment with all necessary dependencies for building and running the simulation.

Automation scripts:

• Added docker/linux/build_and_run.sh to automate the process of building the libCML library, compiling the DrugSimulation binaries for different variants, and running simulations with customizable parameters. This script also supports parameter overrides and result directory management.
• Added docker/linux/run_only.sh to run simulations using pre-built binaries, with similar parameter override and result management features as the build-and-run script.

Docker context optimization:

• Added a .dockerignore file to exclude source control, virtual environments, build artifacts, and Python cache files from the Docker build context, improving build performance and security.