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The installer/updater for SEAMM (Simulation Environment for Atomistic and Molecular Simulations).

Project description

SEAMM Installer Step

GitHub pull requests CI status Documentation Status Code coverage Code Quality Updates for requirements
CI status for releases Release version

The installer/updater for SEAMM.

Features

  • TODO

Credits

This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award OAC-1547580 and CHE-2136142.

History

2023.4.1 Bugfix: get latest version from Zenodo

2023.3.31.1 Switching to Zenodo
  • Getting the package list from Zenodo

  • Added ability to pin packages.

2023.3.31
  • Added new plug-in: QCArchive

2023.3.23
  • Added new plug-ins: Gaussian, TorchANI and NWChem

  • Updated creating the JobServer service to handle changes in the JobServer

2022.10.25

Added QuickMin and ensured the Dashboard is included. Also hardened the code, handling more errors gracefully.

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