crispy 0.8.0

Core-Level Spectroscopy Simulations in Python

Crispy is a modern graphical user interface to calculate core-level spectra using the semi-empirical multiplet approaches implemented in Quanty. The application provides tools to generate input files, submit calculations, and plot the resulting spectra.

Installation

Latest Release

Using the Package Installers

The easiest way to install Crispy on Windows and macOS operating systems is to use the installers provided on the project’s downloads page.

Using pip

Pip is the package manager for Python, and before you can use it to install Crispy, you have to make sure that you have a working Python distribution. On macOS and Windows, you can install Python using the official installers. In particular, for Windows, you should install the 64-bit version of Python and make sure that you select to add Python to the system’s PATH during the installation.

python3 -m pip install crispy

After the installation finishes, you should be able to start the program from the command line:

crispy

If you have problems running the previous command, it is probably due to not having your PATH environment variable set correctly.

export PATH=$HOME/.local/bin:$PATH

Development Version

Using pip

Assuming that you have a working Python distribution (version 3.7 or greater), you can easily install the development version of Crispy using pip:

python3 -m pip install https://github.com/mretegan/crispy/tarball/main

To update the development version of Crispy, you can use the following command:

python3 -m pip install --ignore-installed https://github.com/mretegan/crispy/tarball/main

Usage

Crispy should be easy to find and launch if you have used the installers. For the installation using pip follow the instructions from the Installation section.

Citation

Crispy is a scientific software. If you use it for a scientific publication, please cite the following reference (change the version number if required):

@misc{retegan_crispy,
  author       = {Retegan, Marius},
  title        = {Crispy: v0.8.0},
  year         = {2024},
  doi          = {10.5281/zenodo.1008184},
  url          = {https://dx.doi.org/10.5281/zenodo.1008184}
}

License

The source code of Crispy is licensed under the MIT license.