Add restart-file field to crystal-structure-npt property

v2.6.4

add restart-file field to crystal-structure-npt

Crystal Genome elastic properties

Add elastic properties for arbitrary crystals for the Crystal Genome framework

kim-property disclaimer

This release includes,

• a new optional key-value pair, "disclaimer," is added, which is a statement of the applicability of the data contained in a Property Instance
  • "disclaimer" is a string containing an optional statement about the applicability of the data in this Property Instance.
  • For a Prediction, this can be provided by the Test, while for an item of Reference Data, this can be provided by the contributor.
• Extra tests are added to cover the new addition

kim-property dependencies update

This release includes,

• the dependencies update, thus enabling the installation of dependencies.

kim-property update

This release contains:

• Improved Packaging
  • Upgrade the package build & publish with the latest GitHub actions
  • Add pyproject.toml, hinting build tools like pip & build which backend to use
  • Remove the tests from the final package. Address issue #16
  • Update the Python version for coverage action
  • Upgrade the versioneer's version to 0.29
• Python version >= 3.8. We officially support and test Python version >= 3.8, although there should be no issue using the lower Python version 3.7.
• kim-edn version >= 1.4.0.
• Added a safer EDN serialization format & removed the pickling module. For serializing and de-serializing kim properties, we use a safer EDN format and use the OpenKIM kim-edn package
• Coverage updated
  • Remove appveyor support. Now, GitHub action will cover Linux, Macs, and Windows
• Update the README with mamba installation instruction

kim-property update

This release contains,

• update properties & update with the latest openkim-properties repository
• upgrade the versioneer from 0.18 -> 0.29
• update the programming language in the setup and actions

kim-property update

This release contains an enhancement,

• The cohesive-potential-energy-crystal is now binding-energy-crystal

kim-property conda

This release contains,
Minor update to the MANIFEST.in, including the license file, to address having the wrong LICENSE distributed in conda forge

kim-property bugfix in v2.5.4

This release contains,

Bugfix in v2.5.4

• BUG: update .pickle file with new properties (#8)

kim-property new property definition

This release contains,

• A new crystal genome property definition.