2021.9.17

Changes:

• Update to Voilà version 0.2.14 (#350)
  This implements some important changes to Python kernel handling (execution and culling), which should solve issues when continuously running a Voilà application.

Developer changes:

• Update pylint~=2.11 (#350)
• Update pre-commit hook for black to 21.9b0 (#350)
• Use only v{MAJOR} tags for GitHub Actions, where available (#350)

2021.9.10

Changes:

• Support "minimized" structures (#343).
  "Minimized" here means structures with missing critical fields, like species, lattice_vectors, etc.
• Increase default page_limit to 25 (#343).
• Update disabled providers list (#343):
  Enable: OMDB and 2DMatpedia
  Disable: JARVIS
• Update dependencies:
  • voila~=0.2.12
  • widget-periodictable~=3.0

2021.9.8

Changes:

• Move to a default horizontal layout, similar to the one used in the Materials Cloud client (#342)
  This is mainly done to accommodate the AiiDAlab version of the client, which now uses the notebook straight up.

2021.9.7

Updates:

• Use the latest optimade and voila packages (#341).
  • optimade~=0.16.3
  • voila~=0.2.11

Fixes:

• A temporary work-around for wrongly calculated chemical_formula_anonymous fields in Materials Cloud servers has been implemented (#341).
  For more information, see aiidateam/aiida-optimade#279.
  This is fine, since chemical_formula_anonymous is not used at all in the application.
• Correctly take care of species.mass (#341).

Developer updates:

• Removed unnecessary code (#341).
• Updated dependencies and GH Actions (#341):
  • pre-commit~=2.15
  • codecov/[email protected]
  • Use black 21.8b0 for pre-commit.

2021.8.24

Support OPTIMADE v1.1.0.

Updates:

• OPTIMADE v1.1.0 (#335)
  Support OPTIMADE v1.1.0 servers. The main difference is the switch from a string to a list value for species.mass, as well as a lot of clean up in the specification itself.

Fixes:

• Incorrect filter value for querying providers' index meta-db's /links endpoint (#335)

Developer updates:

• Update dependencies (#332, #333):
  • pre-commit~=2.14
  • optimade~=0.16.2
  • pylint~=2.10

2021.8.6

Add AiiDAlab app.

Updates:

• AiiDAlab support.
  This repository can be installed in AIiDAlab as a stand-alone app (#327, @csadorf).
  The requirements have been slightly loosened to support the slower update flow for Python packages.
  Further curation of specifically Materials Cloud databases have been implemented generally.
• Update to latest OPTIMADE Python tools support (v0.16) (#326).

Developer updates:

• Update dependencies (#306, #310, #315, #321, #326):
  • pytest-cov~=2.12
  • pre-commit~=2.13
  • ase~=3.22
  • pylint~=2.9
  • pandas~=1.3
  • invoke~=1.6
  • requests~=2.26
• Update GitHub Actions (#303, #310, #315, #326, #328, #329).

2021.5.7

Updates:

• Disable MPDS provider (#296).
  Unfortunately, the MPDS provider cannot currently be properly supported by the client due to it not supporting certain filter operators.
• Update Voilá version to the latest v0.2.10 (#295, #290)
• Update NGLView version to the latest v3.0 (#288)

Fixes:

• Update dependencies: (#288, #294)
  • pre-commit is updated to ~=2.12
  • pylint is updated to ~=2.8
  • setuptools is updated to >=49.4
• Update GH Action actions/cache to v2.1.5 (#289)
• Update pre-commit hooks for black and flake8 (#294)

2021.3.29

Updates:

• Grouping of databases in dropdown (#285).
  When choosing a database from a provider, if there are multiple, they can now be grouped up in the dropdown, utilizing the newest version of DropdownExtended from ipywidgets-extended package.
• Drop Python 3.6 support (#284).
• Add Python 3.9 support (#284).
• Update core optimade package requirement to v0.14 (#283).

Fixes:

• Fix handling of DEVELOPMENT_MODE (#282).

2021.3.16

Updates:

• Don't show database dropdown and page selection if the number of databases for a provider is less than or equal to one (#277).
• Auto-choose the first structure result in the dropdown and the first download format, when a new structure is chosen (this will automatically be CIF) (#277).
• Manually use development servers (currently only available for the Materials Cloud provider) (#277).
  This can be done by setting the environment variable OPTIMADE_CLIENT_DEVELOPMENT_MODE to 1 or run the client via the CLI with the --dev option.
• Add parameters for skipping or disabling providers and databases of providers (#277).
  The parameters are available for the ProviderImplementationChooser widget and are disable_providers, skip_providers, and skip_databases.
  The first two parameters must be lists of the provider's id values. The latter parameter must be a dictionary with key, value-pairs of a provider's name value as the key and a list of databases id values as its value.

Developer updates:

• Move message for "No structures found!" into the structure results dropdown widget (#277).
• Update flake8 version in pre-commit (#279).

2021.3.8

Updates:

• Use latest OPTIMADE version (according to OPTIMADE Python tools); v1.0.1 (#267, #270)

Bug fixes:

• Database pagination not working as intended (#270, #274).
  This fix is temporary, as it sets the default page_limit to 100 as a fix.
• Version negotiation (#270).
  Properly use the unversioned /versions endpoint to retrieve the recommended implementation version to be used.

Developer changes:

• Update dependencies (#267, #273):
  • optimade (~=0.13.3)
  • pre-commit (~=2.11)