Skip to content

GUI ARPES evaluation software, written with QT5 in python and FORTRAN90

License

Notifications You must be signed in to change notification settings

FalconTube/ARPESsimist

Repository files navigation

ARPESsimist

A software suited for evaluation of Angle Resolved Photo Emission Spectroscopy (ARPES) data.

About

This program is an attempt to create a free and open-source way of evaluating ARPES data, since there is a general lack of software in this regard. The main core is written in Python3 and PyQT5 to ensure ease of contribution from other scientists. Some computationally demanding routines are written in FORTRAN90 to ensure high performance.

Installation

Windows

A pre-built, standalone .exe file can be found on this page. This can directly be run on any Windows 10 machine without further installation. It is possible, that this file may be recognized as a virus, which is due to the compilation process using PyInstaller. More information on that topic can be found at this link:

Linux

Pip install is in the works!

Clone this repository using git or download it directly and extract it anywhere, e.g.

git clone https://github.com/FalconTube/ARPESsimist.git

Required python packages:

  • matplotlib
  • scipy
  • numpy
  • natsort
  • PyWavelets
  • h5py
  • PyQt5
  • pywt

All of these are installable via pip:

pip3 install -r requirements.txt

In addition, a fortran compiler (e. g. gfortran) is required to compile the f90 routines for your respective system. This compiler can be installed in the respective ways, listed below. Further information is available at https://gcc.gnu.org/wiki/GFortranBinaries.

Debian based:

sudo apt install gfortran

Arch based:

sudo pacman -S gcc-fortran

OSX

The recommended method is to use Homebrew to install the fortran compiler. If Homebrew is installed, just use:

brew install gcc

Windows

Install MinGW to make use of the fortran compiler.

Compile fortran scripts

In order to test your fortran installation, open a terminal and enter gfortran. If it states something like "fatal error: no input files", then you are good to go!

Open a terminal at <Your_install_location>/arpessimist/fortran_routines/ and execute compile.sh using bash compile.sh (should also work on Windows with MinGW installed. If not, extract the respective commands from the script manually).

General Usage

Start the software by calling python3 start_progs.py. This will open an empty window with a file menu in its top left position. From here, you can load multiple .sp2 data or a single .nxs (hdf5 format) file.

Empty window

After loading a set of data, more widgets will populate the main window, like this:

Main window

Bugs and Features

As this is still a very novel project, expect bugs to happen. The authors would be grateful, if these bugs were reported to falke@ph2.uni-koeln.de.

Additionally we are very grateful for any feature request or general comments on how to improve this project.

Contributions

Due to the simple programming scheme of this work, adding more functionality in the form of python or fortran scripts can be done with ease. All contributions are always welcome!

If you want to contribute to this project, feel free to contact Yannic Falke at falke@ph2.uni-koeln.de.

Authors

Yannic Falke, II. Institute of Physics, University of Cologne

Contributors

Niels Ehlen, II. Institute of Physics, University of Cologne

About

GUI ARPES evaluation software, written with QT5 in python and FORTRAN90

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published