qcportal 0.5.2

A client interface to the QC Archive Project.

QCPortal

A client interface to the QC Archive Project.

This standalone client serves to hook into QCFractal instances from remote or local locations and is designed for end-users who which to access the QCFractal stores.

The main source code for this project is automatically ported over from the QCFractal automatically. Issues involving the source code itself (anything in the qcfractal directory) should raise an issue on the QCFractal issue tracker for the interface. Issues about the documentation, repository structure, or deployment of the standalone QCPortal can be raised on this repository.

QCPortal Version descriptions with QCFractal

QCPortal's release versions mostly match QCFractal's releases with the following standard form

X.Y.Z

for Major (X), Minor(Y), and Patch(Z) version respectively. However, because Portal is intrinsicly linked to Fractal, the following rules must be adhered to:

1. Major release version must be the same as Fractal
2. Minor release version must be the same as Fractal
3. Patch version is unrestricted and can differ from Fractal

Copyright

Copyright (c) 2018, Molecular Software Sciences Institute (MolSSI)

Acknowledgements

Project based on the Computational Chemistry Python Cookiecutter