Metadata-Version: 2.4
Name: hrcl_jobs
Version: 1.8.2
Summary: Runs python functions on worker threads with main thread communicating with sql/postgresql db
Author-email: "Austin M. Wallace" <awallace43@gatech.edu>
Project-URL: Homepage, https://github.com/Awallace3/hierarchical_python_jobs
Project-URL: Bug Tracker, https://github.com/Awallace3/hierarchical_python_jobs/issues
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: matplotlib
Requires-Dist: qm_tools_aw
Requires-Dist: numpy>=1.20.0
Requires-Dist: pandas>=1.4.3
Provides-Extra: psi4-calculations
Requires-Dist: psi4>=1.7; extra == "psi4-calculations"
Provides-Extra: ad4-vina-calculations
Requires-Dist: autodock-vina; extra == "ad4-vina-calculations"
Provides-Extra: openmm-calculations
Requires-Dist: openmm; extra == "openmm-calculations"
Dynamic: license-file

# Hierarchical Python Jobs (hrcl_jobs)
This package provides a simple way to run hierarchical jobs in Python.
Leveraging a SQL or PostgreSQL database, it allows users to create MPI jobs
that distribute tasks from a main thread to multiple worker threads for
high-throughput computation. 

# Installation
```bash 
pip install hrcl-jobs
```
**NOTE** if you are using macos, you might need to do the following to install with pip
```bash 
brew install mpich
sudo find / -name mpicc
```
And then run the pip install with the path to your mpicc
```bash
env MPICC=/yourpath/mpicc pip3 install hrcl-jobs
```

# Example Usage
