Commit 8e427510 authored by Daniel Wortmann's avatar Daniel Wortmann

Initial commit

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# Interactive Katacoda Scenarios
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Visit https://www.katacoda.com/d.wortmann to view the profile and interactive scenarios
### Writing Scenarios
Visit https://www.katacoda.com/docs to learn more about creating Katacoda scenarios
For examples, visit https://github.com/katacoda/scenario-example
# Katacoda Hello World
This is an example repository. Starting building your own scenario by editing the files in this directory. Create additional scenarios by adding additional directories to the top level folder.
## index.json
The file _index.json_ contains all the information about the scenario. It has the title, description and a heading for each step.
The file also contains an imageid. This refers to the Katacoda environment. Here are some environment image IDs you may find useful:
| **Environment** | **Image ID** |
|------------------|---------------|
| Docker | docker |
| Kubernetes | kubernetes |
| CoreOS | coreos |
| Node.js v6 | node6 |
| Go | go |
| C# | c# |
| Java | java8 |
| Bash | bash |
## Pro Author Accounts
Interested in metrics, private repositories and environments for classroom teaching? Update to become a Pro Author at https://katacoda.com/teach
## Interactive Developer Portals
Want to take your scenarios to the next level? Visit https://katacoda.com/embed
You've completed The compilation and build of FLEUR. For more options please visit the Documentation on
https://www.flapw.de !
{
"title": "Installing FLEUR",
"description": "How to configure and compile FLEUR from its GIT-repository",
"difficulty": "beginner",
"time": "10 minutes",
"details": {
"steps": [{
"title": "Step 1 - Prepare your system",
"text": "step1.md"
},{
"title": "Step 2 - Download FLEUR",
"text": "step2.md"
},{
"title": "Step 3 - Configure FLEUR",
"text": "step3.md"
},{
"title": "Step 2 - Build FLEUR",
"text": "step4.md"
}],
"intro": {
"text": "intro.md",
"credits": ""
},
"finish": {
"text": "finish.md"
}
},
"environment": {
"uilayout": "terminal",
"uimessage1": ""
},
"backend": {
"imageid": "ubuntu"
}
}
Welcome to this guide to install FLEUR on your system.
You will be shown a series of steps needed to install FLEUR using its GIT sources.
The commands needed can be directly executed by clicking the arrow next to them.
Have fun
add-apt-repository -y ppa:ubuntu-toolchain-r/test ;apt update ;apt -y install gfortran-7 ; update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-7 40 --slave /usr/bin/g++ g++ /usr/bin/g++-7 ;update-alternatives --install /usr/bin/gfortran gfortran /usr/bin/gfortran-7 40 --slave /usr/bin/gcc gcc /usr/bin/gcc-7
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
## 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.
* 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}}
To obtain the code you should use git:
`git clone https://iffgit.fz-juelich.de/fleur/fleur.git`{{execute}}
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`{{copy}}. 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
The next step is to configure FLEUR using its configure.sh tool.
It's most basic usage is simply:
`fleur/configure.sh`{{execute}}
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}}
This configure step will print a summary of the configuration and create a directory 'build' in which FLEUR will be compiled.
You can use `fleur/configure.sh -h`{{execute}} to find more options.
Finally it is time to compile FLEUR. Change into the 'build'-directory
`cd build`{{execute}}
and do a `make`{{execute}}.
This will take some time during which the various files are compiled.
At the end you will obtain two executables 'fleur' and 'inpgen'. If your system
also provides a MPI installation in addition you will see an executable 'fleur_MPI'.
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