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QCPortal

Continuous Integration

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.

Issues

All issues should be reported to the QCFractal issue tracker. This repository is automatically updated from the main QCFractal source code and is only used for deployment of the QCPortal package.

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