- 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
- 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- Removed dependency on pyspglib since it is no longer maintained by its developer(s)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