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94f2b41 · Mar 9, 2025

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HISTORY.rst

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2025.3.9 -- Significant update
  • Working with the new packing lists, generated by installing SEAMM now that we cannot programatically search PyPi.
  • Added support for dependencies with pinned versions, which is becoming increasingly necessary.
  • Use conda env update with custom environment file which include any pinning needed. This appears to avoid the problems with updating encountered with the last version.
2024.4.22 -- Moving user preferences to ~/.seamm.d
  • Moved seamm.ini from ~/SEAMM to ~/seamm.d since it only contains personal preferences.
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.