Tags give the ability to mark specific points in history as being important
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v0.5.2
- allows to download large files over longer time period
- streamlined deployment without API+GUI proxy
- minor bugfixes
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v0.5.1
- integrated parsers Dmol3, qbox, molcas, fleur, and onetep
- API endpoint for query based raw file download
- improvements to admin cli: e.g. clean staging files, reprocess uploads based on codes
- improved error handling in the GUI
- lots of parser bugfixes
- lots of minor bugfixes
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v0.5.0
The first production version of nomad@fairdi as the upload API and gui for NOMAD
- Production ready software and deployments (term agreements, better GUI docs)
- Raw file API with support to list directories. This replaces the
filescalculation metadata key. It was necessary due to arbitrary large lists of auxfiles in some calculations. - Search interface that contains all features of the CoE Repository GUI.
- Refactored search API that allows to search for entries (paginated + scroll),
metrics based on quantity aggregations (+ paginated entries), quantity aggregations
with all values via
afterkey (+ paginated entries). - reprocessing of published results (e.g. after parser/normalizer improvements)
- mirror functionality
- refactored command line interface (CLI)
- potential GUI user tracking capabilities
- many minor bugfixes
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v0.4.6
- admin commands to directly manipulate upload data
- additional migration scripts
- fixed system normalizer to understand indexed atom labels correctly
- many minor bugfixes
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v0.4.5
- improved uploads view with published uploads
- support for publishing to the existing nomad CoE repository
- many minor bugfixes
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v0.4.4
- improved GUI navigation
- support for multiple domains
- info API endpoint
- metainfo browser
- support for latest exciting version
- bugfixes in system normalization
- many minor bugfixes
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v0.4.3 Improved migration version.
- more flexible celery routing
- config via nomad.yml
- repository postgres db can be disabled
- allows publishing of calculations with failed processing
- minimal CLI for managing running processing tasks
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v0.4.2 Version used for migration experiments.
- bugfixes regarding the migration
- better migration configurability and reproducibility
- scales to multi node kubernetes deployment
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v0.4 The version used for migrating data from the old NOMAD CoE repository to the nomad@fairdi infrastructure.
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v0.3 The janurary meeting version with unstaging to coe-repo and kubernetes deployment.
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v0.2 The 'ringberg' version that represented a first prototype for automated processing and the staging area.
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v0.1 The first small mvp version.