History

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.