Development-time tools

Several tools have their own individual pages and are listed below.

Change management


GROMACS uses git<> as the version control system. Instructions for setting up git for GROMACS, as well as tips and tricks for its use, can be found on the wiki: Git Tips & Tricks

Other basic tutorial material for git can be found on the web<>.

All code changes go through a code review system at
All changes pushed to Gerrit are automatically compiled and otherwise checked on various platforms using a continuous integration system at Understanding Jenkins builds documents how Jenkins interacts with the build system, providing information on how to replicate the builds Jenkins does (e.g., to diagnose issues). releng repository provides more information on the technical implementation of the builds.
Bugs and issues, as well as some random features and discussions, are tracked at

Build system

Main tool used in the build system.

packaging for distribution (CPack)

unit testing (CTest)
GROMACS uses a unit testing framework based on Google C++ Testing Framework (gtest) and CTest. All unit tests are automatically run on Jenkins for each commit. Details can be found on a separate page on Unit testing.

regression tests

cppcheck is used for static code analysis, and is run automatically on Jenkins for each commit. Different rules are used for C and C++ code (with stricter checking for C++ code, as that is newer). The build system provides a cppcheck target (produced from tests/CppCheck.cmake) to run the tool. This target is used also by Jenkins.

clang static analyzer


Code formatting and style

The tools and scripts listed below are used to automatically check/apply formatting that follows GROMACS style guidelines described on a separate page: Style guidelines.

uncrustify is used for automatic indentation and other formatting of the source code to follow Guidelines for code formatting. All code must remain invariant under uncrustify with the config at admin/uncrustify.cfg. A patched version of uncrustify is used. See Automatic source code formatting for details.
This Python script adds and formats copyright headers in source files. (see below) uses the script to check/update copyright years on changed files automatically.
This bash script runs uncrustify and for all files that have local changes and checks that they conform to the prescribed style. Optionally, the script can also apply changes to make the files conform. This script is automatically run by Jenkins to ensure that all commits adhere to Guidelines for code formatting. If the uncrustify job does not succeed, it means that this script has something to complain. See Automatic source code formatting for details.
This sample git pre-commit hook can be used if one wants to apply automatically before every commit to check for formatting issues. See Automatic source code formatting for details.
This Python script sorts and reformats #include directives according to the guidelines at Guidelines for #include directives. Details are documented on a separate page (with the whole suite of Python scripts used for source code checks): Include order sorting.
include directive checker
In its present form, the above include sorter script cannot be conveniently applied in To check for issues, it is instead integrated into a check-source build target. When this target is built, it also checks for include formatting issues. Internally, it uses the sorter script. This check is run in Jenkins as part of the Documentation job. Details for the checking mechanism are on a separate page (common for several checkers): Source tree checker scripts.
This bash script runs uncrustify/ sorter on all relevant files in the source tree (or in a particular directory). The script can also produce the list of files where these scripts are applied, for use with other scripts. See Automatic source code formatting for details.
git attributes
git attributes (specified in .gitattributes files) are used to annotate which files are subject to automatic formatting checks (and for automatic reformatting by the above scripts). See man gitattributes for an overview of the mechanism. We use the filter attribute to specify the type of automatic checking/formatting to apply. Custom attributes are used for specifying some build system dependencies for easier processing in CMake.