GROMACS workshop 
=================

Learn to code in GROMACS
--------------------------

The aim of the workshop is to provide attendees with the basis for coding in GROMACS and
contributing to the GROMACS developer community. The workshop consists of
lectures, Q&A sessions, and hands-on sessions with mentoring and covers the following
topics:

 * software structure and interface 
 * GROMACS GitLab and version control
 * CI and testing 
 * best practice in the GMX developer community

All the trainers and mentors belong to the GROMACS team.
  
**Audience**: This workshop is aimed at people interested in coding in GROMACS
and having previous coding experience

**Pre-requisites**: a background in molecular dynamics simulations (preferably minimum expertise in using GROMACS),
experience in programming
(preferably in C++ because that is the language in which GROMACS is written),
and basic Linux skills. 

Please consult the following materials, if you’re uncertain of your skills:
 * Linux commands, bash shell, a quiz and a link to `intro course`_ 
 * short guide to `version control with Git`_
 * `GROMACS tutorial`_ on ​​Introduction to Molecular Dynamics 

**Where and When**
The location and date for next edition has to be announced

.. **Maximum number attendees**: 10 (on site).

.. 
 **Registration** contact GROMACS training (training@gromacs.org) explaining briefly:
    * who you are and where you work
    * how you meet the pre-requisites for the course
    * why you want to attend the course  
    * and include a letter of support from a supervisor or colleague

 The registration is close.
 Invitations will follow in the next week.

.. Alternative,  we will review on a rolling basis to select suitable candidates
.. until the 10 places are filled. 

..
 After acceptance, the candidates will be requested to forward their hotel
 or flight booking in order to confirm the place. This helps us ensure that the
 available places are filled. Further instructions will follow.

2023 Edition
------------

KTH main campus Royal Institute of Technology, Stockholm, Sweden 7-8 September 2023

.. image:: images/workshop_foto2023.jpg
   
**Lectures**

 * GROMACS structure and interface (`Mark Abraham`_),
 * GROMACS GitLab and version control (`Sebastian Wingbermuehle`_)
 * Testing and testing infrastructure (`Andrey Alekseenko`_), 
 * Everything around coding (`Berk Hess`_)

 Lecture materials `doi:10.5281/zenodo.10276348`_

.. _`Erik Lindahl`: https://www.biophysics.se/index.php/members/erik-lindahl/
.. _`Berk Hess`: https://www.biophysics.se/index.php/members/berk-hess/
.. _`Andrey Alekseenko`: https://www.biophysics.se/index.php/members/andrey-alekseenko/
.. _`Mark Abraham`: https://www.linkedin.com/in/mark-abraham-5a329599
.. _`Sebastian Wingbermuehle`: https://www.biophysics.se/index.php/members/sebastian-wingbermuhle/
.. _`intro course`: https://cms.competency.ebi.ac.uk/learning-pathway/module/unix-shell
.. _`Version control with Git`: https://cms.competency.ebi.ac.uk/learning-pathway/version-control-git
.. _`GROMACS tutorial`: https://tutorials.gromacs.org/md-intro-tutorial.html
.. _`doi:10.5281/zenodo.10276348`: https://zenodo.org/records/10276348