====== Getting started with SIMAN ======


==== For Linux-based OS ====
**Step 1. Install pip**
<code>
sudo apt install python3-pip
</code>

**Step 2. Install SIMAN**

<code>
pip install siman
</code>
All the necessary dependencies will be automatically installed. However we recommend installing of pymatgen with version of 2023.3.23. Siman works very slow while imports some modules from the latest version of pymatgen !

<code>
pip install pymatgen==2023.3.23
</code>

**Step 3. Install Sublime Text 3 software**

<code>
sudo apt install sublime-text 
</code>

If it does not work, use google, please ([[https://losst.pro/ustanovka-sublime-text-3-ubuntu-18-04| for example]] )


**Step 4. Create a directory for your SIMAN projects anywhere on you laptop or computer**

**Step 5. Create necessary files for project**
  - [[start:siman:simanrc.py|simanrc.py]] - configuration file
  - project_sets.py - file with parameters for VASP calculations
  - main.py - project file

The archive with example project is [[https://storion.ru/df/dft_crash_course_code.zip|here]]

If you plan to work with VASP, please don't forget to find the folder with potentials and point the path in simanrc.py

How to setup simanrc.py you can find in our [[https://storion.ru/df/tutorial_1.pdf|presentation]]. There you can also find the tutorials, which are developed for working via Jupyter Notebook, but you can easily transfer the code into Sublime project



**Step 6. Setup a new build system in Sublime Text**

Sublime Text allows performing the code right in its panel using chosen build system.
For your convenience we recommend to have a special build system for each SIMAN project, e.g. a project can include a subfiles.

//Sublime -> Tools -> Build system -> New Build System//

It opens default build system file
<code>
{
    "shell_cmd": "make"
}
</code>

Save it with any name in format: //name_of_build_system.sublime-build//


Here the example of build system for one of our projects (//exp_projects.py//) located in // /home/anton/media/vasp/exp_projects/ //:
<code>
{
    "cmd": ["/usr/bin/python3.8", "-u", "/home/anton/media/vasp/exp_projects/exp_projects.py"],
    "file_regex": "^[ ]*File \"(...*?)\", line ([0-9]*)",
    "selector": "source.python",
    "working_dir": "/home/anton/media/vasp/exp_projects/",
}
</code>

After that you should choose the created build system: //Tools -> Build System -> Name of your build system //


==== For Windows OS ====


Use the Jupyter Notebook. Instruction is [[https://storion.ru/df/tutorial_1.pdf|here]]