Bump optimade[server] from 0.20.2 to 0.21.0

[dependabot[bot]]

Bumps optimade[server] from 0.20.2 to 0.21.0.

Release notes

Sourced from optimade[server]'s releases.

v0.21.0

Changelog

v0.21.0 (2023-02-20)

Full Changelog

This minor release contains new client functionality and improved support for ASE.

New features:

• Ability to specify async callback functions that are called after every client response. This can be used for e.g., iteratively saving to file or a database. For example:

  from optimade.client import OptimadeClient
  DATABASE = pymongo.MongoClient().database.collection
  def save_callback(url, results) -> None:
  for structure in results["data"]:
  DATABASE.insert_one(structure)
  client = OptimadeClient(callbacks=[save_callback])
  client.get()
  

• Ability to create OPTIMADE structure objects from ASE atoms:

  from optimade.adapters import Structure
  from ase import Atoms
  co = Atoms('CO', positions=[(0, 0, 0), (0, 0, 1.1)])
  structure = Structure.from_ase_atoms(co)
  

• Added ability to mute the client progress bars with --silent/silent=True and increased default response timeouts to better reflect those required for practical queries.

Implemented enhancements:

• Add customisable callback functions to client #1515
• Add ability to specify callbacks to run after each client request #1519 (ml-evs)
• Increase client timeouts and tweak response_fields behaviour #1514 (ml-evs)
• Add ASE ingester and generalize other ingestion utilities #1509 (ml-evs)

Closed issues:

• Increase default client timeouts #1513

... (truncated)

Changelog

Sourced from optimade[server]'s changelog.

v0.21.0 (2023-02-20)

Full Changelog

This minor release contains new client functionality and improved support for ASE.

New features:

• Ability to specify async callback functions that are called after every client response. This can be used for e.g., iteratively saving to file or a database. For example:

  from optimade.client import OptimadeClient
  DATABASE = pymongo.MongoClient().database.collection
  def save_callback(url, results) -> None:
  for structure in results["data"]:
  DATABASE.insert_one(structure)
  client = OptimadeClient(callbacks=[save_callback])
  client.get()
  

• Ability to create OPTIMADE structure objects from ASE atoms:

  from optimade.adapters import Structure
  from ase import Atoms
  co = Atoms('CO', positions=[(0, 0, 0), (0, 0, 1.1)])
  structure = Structure.from_ase_atoms(co)
  

• Added ability to mute the client progress bars with --silent/silent=True and increased default response timeouts to better reflect those required for practical queries.

Implemented enhancements:

• Add customisable callback functions to client #1515
• Add ability to specify callbacks to run after each client request #1519 (ml-evs)
• Increase client timeouts and tweak response_fields behaviour #1514 (ml-evs)
• Add ASE ingester and generalize other ingestion utilities #1509 (ml-evs)

Closed issues:

• Increase default client timeouts #1513
• Provide basic support for older pymatgen versions in adapters #1490

Merged pull requests:

... (truncated)

Commits

• c3ed95d Release v0.21.0 - Changelog
• eee40df Update dockerfile manifest
• 81620ac Replace flake8, isort etc. with ruff
• 8a19957 Add ability to specify callbacks to run after each client request (#1519)
• 0a3b7bf Update dependencies (#1525)
• c87d6c3 Make calling CLI with no args print the help string
• 1f71e31 Add --silent option to suppress rich output from client
• 310c36d Refresh docs style and associated tweaks (#1516)
• a029dbf Update tests and client to properly test async mode (#1517)
• a8d9209 Tweak client timeouts and response_fields behaviour (#1514)
• Additional commits viewable in compare view

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