Metadata-Version: 2.4
Name: JKQC
Version: 0.1.0
Summary: Jammy Key for Quantum Chemistry
Author-email: Jakub Kubecka <akcebukbukaj@gmail.com>
License: GPL-3.0 license
Requires-Python: <=3.10,>=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy==1.25.2
Requires-Dist: scipy==1.9.3
Requires-Dist: joblib==1.3.2
Requires-Dist: pathlib==1.0.1
Requires-Dist: numexpr==2.8.4
Requires-Dist: psutil
Requires-Dist: xlsxwriter
Requires-Dist: rdkit
Requires-Dist: pandas==1.5.3
Requires-Dist: ase==3.24.0
Dynamic: license-file

# JKQC
Jammy Key for Quantum Chemistry

You can install with `pip install -e .`

Here is an example:

.. code:

   git clone https://github.com/kubeckaj/JKQC.git
   cd JKQC
   python -m venv .venv
   source .venv/bin/activate
   pip install -e .
   jkqc --help

.. note:
 
   Make sure you use the correct python version


