The installer/updater for SEAMM (Simulation Environment for Atomistic and Molecular Simulations).
Project description
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
- 2024.3.17 Enhancements
Install and update now use the latest version unless the package is pinned in the packing list.
Changes to support the plug-ion specific installs, which are now handling the specific <code>.ini files.
- 2024.3.11 Updating to work with new packing list.
Versions of packages are now stored as strings and compared using semver, since the older approach is being deprecated in Python.
2023.11.3 BugFix: Internal update due to changes for versioneer
2023.11.2 Bugfix: Fixed a crash casued by a minor change in the Zenodo API
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.
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