Welcome to the developers documentation of FLEUR

These pages are complementing the User documentation in which the actual use of FLEUR is documented.

Here we collect information useful for developers or advanced users that actually will modify the source code.

GitLab

The development process is performed using gitlab. You can access the main gitlab page here.

If you checkout the code please be aware that there are several branches. The release branch contains the code of the last release published on the FLEUR webpage. You can not push to this branch directly. You probably want to use the development branch to insert your changes. If your changes are large, it might be a good idea to create your own branch first.

Contributors guide

Everyone is very welcome to contribute to the enhancement of FLEUR. Please use the [gitlab service] (https://iffgit.fz-juelich.de/fleur/fleur) to obtain the latest development version of FLEUR.

Coding rules for FLEUR:

In no particular order we try to collect items to consider when writing code for FLEUR

Useful info for developers

Using fleur with the HDF5 library and debugging it with valgrind

HDF5 has to be built with the same compiler that is also used to compile fleur. If adapted the following commands can be used to compile a HDF5 library for fleur:

Note:

Furthermore to configure and start fleur with HDF5 the following has to be done: