/scorpy-pkg

Scattering Correlation in Python

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

SCORPY

Scattering CORrelation in PYthon

Read the paper!

Citation: Adams, P., Greaves, T. L. & Martin, A. V. (2024). Crystal structure via fluctuation scattering. IUCrJ, 11. https://journals.iucr.org/m/issues/2024/04/00/it5033/index.html

Conda Setup (Requirements)

Use the following commands to set up a conda environment.

conda deactivate
conda create -n phd python==3.9 --yes
conda activate phd
#conda install -c conda-forge ipython --yes
conda install -c conda-forge numpy==1.26.4 --yes
conda install -c conda-forge matplotlib==3.8.4 --yes
conda install -c conda-forge pyshtools=4.12.2 --yes
conda install -c conda-forge h5py==3.11 --yes
conda install -c conda-forge pycifrw==4.4.6 --yes
conda install -c conda-forge scipy==1.13.1 --yes
conda install -c conda-forge scikit-image==0.24.0 --yes
conda install -c conda-forge regex==2024.5.15 --yes
conda install -c conda-forge numba==0.60.0 --yes

Installation

To install scorpy, run the following commands to download the package, move into the directory and install an editable verision of the package. This will create a link from your python site-package directory to an egg-info directory.

git clone https://github.com/YellowSub17/scorpy-pkg.git
cd scorpy-pkg
pip install -e .