Commit 7aa656b9 authored by Daniel Wortmann's avatar Daniel Wortmann

Updated

parent d97f74ce
To install FLEUR you have to provide a system with at least:
* A Fortran compiler (and a compatible C compiler)
* cmake
* git
* The libxml2 library
* The BLAS/LAPACK library
* A '''Fortran compiler''' and a compatible C compiler. (We have good experience with modern versions of the Intel compilers (>Version 12), the gfortran compilers (>Version 6) and the PGI-Compilers (>Version 18.4)).
* '''cmake''' (This can be easily be downloaded from https://www.cmake.org).
* '''git''' (Should be available on your system.)
* The '''libxml2''' library (Also a standard library found in every modern operating system. You might have to install an additional development packet.)
* The '''BLAS/LAPACK''' library (It is a good idea to look for a tuned version for your system, e.g. Intel-MKL).
* Further libraries can be used if present. See the output of the configure step later on.
## Example setup
The configuration of your system might be complex and not at all like the steps we perform here.
If in trouble please contact your system-admin for help.
In this tutorial a basic UBUNTU image is used. Hence we have to install quite some additional software.
Please perform the following steps to set-up the environment.
In this tutorial a basic Ubuntu image is used. Hence, we have to install quite some additional software.
Please perform the following steps to set-up the environment. Please be patient, this will take some time.
* GFortran Version 7 (You need at least this version for FLEUR):
`add-apt-repository -y ppa:ubuntu-toolchain-r/test ;apt update ;apt -y install gfortran-7`{{execute}}
* CMake:
`apt -y install cmake`{{execute}}
* The libraries:
`apt -y install libxml2-dev liblapack-dev`{{execute}}
`add-apt-repository -y ppa:ubuntu-toolchain-r/test ;apt update ;apt -y install gfortran-7 cmake libxml2-dev liblapack-dev`{{execute}}
......@@ -7,7 +7,7 @@ It's most basic usage is simply:
However, this will fail in this environment as the default fortran compiler is too old.
We will have to set the Fortran compiler explicitly by using
`FC=gfortran-7 fleur/configure.sh`{{execute}}
`FC=gfortran-8 fleur/configure.sh`{{execute}}
This configure step will print a summary of the configuration and create a directory 'build' in which FLEUR will be compiled.
......
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