seamm-installer 2023.6.7

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

SEAMM Installer Step

The installer/updater for SEAMM.

• Free software: GNU Lesser General Public License v3+

• Documentation: https://molssi-seamm.github.io/seamm_installer/index.html

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

2023.6.7 Bugfix: Ensuring the LaunchAgents directory exists on Mac

2023.4.2 Bugfix: Updating full conda environment breaks pinning.

So removed that capability.

2023.4.1.1 Bugfix: Problem with JobServer service

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.