How to download and install Fleur code (Version MaX-5.1)

 

We need to add the path to the  .bashrc file

#---------Fleur path----------------------------------
export FLROOT=/home/algerien/abinitio/fleur/build
export PATH=$PATH:$FLROOT
#---------------------------------------------------------

Prerequisites

 - gfortran 

- libraries: BLAS/LAPACK, libxml2

- doxygen

-hdf5

Downloading and installation

1- git clone https://iffgit.fz-juelich.de/fleur/fleur.git

2- cd fleur 
3- git checkout stable
4- ./configure.sh 
5- cd build/
 
6- make
.......................................................................
to check if the code works as expected 

7- ctest

 

To obtain the code you should use git:

git clone https://iffgit.fz-juelich.de/fleur/fleur.git

Now you will find a directory called 'fleur' in which the code resides.

After cloning several branches(versions) of FLEUR are available:

• standard is the 'develop' branch which should contain the newest version. This sometimes does not run/complile but here all the bugfixes should appear first.
• the 'stable' branch will let you access the monthly snapshots.
• the 'release' branch will point to the last release.

You can choose the branch to use by typing for examle git checkout stable. This has to be done in the fleur directory.

If you are having trouble with git you can also download an archive containing the 'fleur' directory from https://iffgit.fz-juelich.de/fleur/fleur

 https://www.flapw.de/MaX-5.0/katacoda1/

 

Building with LibXC

If the user decides to compile Fleur together with LibXC support, LibXC needs to be of version >=5.0.0. The easiest way to install Fleur with LibXC is to download Fleur with git:

git clone --branch release https://iffgit.fz-juelich.de/fleur/fleur.git

Then you can configure Fleur with

./configure.sh -libxc TRUE