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CHANGELOG.md

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qmpy changelog

1.4.0 - 09/29/2020

  • Python upgrade to 3.7.xx from 2.7.xx
    • New version of qmpy is tested only against Python 3
    • Syntax changes needed to compile in py3
    • MySQL-python packages is no longer supported. Instead the mysqlclient package dependency is added
    • The __cmp__ function is deprecated. __lt__ is used instead to compare Model objects
  • Django upgrade to 2.2.xx from 1.8.18
    • ForeignKey.on_delete functions are added as it is now mandated
    • Removed the deprecated SubfieldBase metaclass and added the alternative from_db_value function to load data from DB
    • URL view specifications are changed from strings to model views
    • Parent import directory changes for multple Django classes (eg: context_processors)
    • Several changes in format of settings file params
    • Defined hash function for Phase objects
    • Changed the Model field definition to have blank=True instead of null=True
  • Conflict between qmpy.io and python3's default io module are resolved. Now we import subclasses or function individually specified insidethese io modules
  • Visualization page is improved
    • More customization tools and upgraded Jsmol version
  • Blackened
    • Reformatted the scripts using Black
  • Added Structured Data scripts to adhere to the definitions in schema.org

1.3.0 - 11/05/2019

  • Django upgrade to 1.8.18 from 1.6.xx
    • Model instance creation is done via Class Managers because model instace auto-save was removed to optimize memory
    • The command - makemigrations is used to auto-detect model changes. It i used for building in travis
    • Django Querysets are implemented for data filtering
  • RESTful framework added
    • Serialized DFT data availability with both default OQMD and OPTiMaDe specified keyword-sets.
    • Lark Parser to convert raw queries to logical Django Queries
    • Pagination is implemented while retreiving RESTful query results
  • Spglib upgraded to >1.9
    • Removed dependency on pyspglib since it is no longer maintained by its developer(s)
    • Significant changes to the internal implementation of Structure model, even though it's not expected to be affect the end-user
  • More unit tests
    • duplicate entry detection, structure transformations
  • Change in UI of the landing page
    • Removed the on-the-fly calculations of # of entries while loading the oqmd.org main page
    • Removed the twitter based phase lookup instructions since it's no longer operational
  • Optimized the phase diagram and stability plot generation for compounds
    • Stability plot is now generated from the PhaseData that was already collected for generating phase diagram, instead of performing a second database lookup

1.2.0 - 09/28/2018

1.1.0 - 05/02/2018