2020.10.28

Changes:

• Add kernel culling configurations to jupyter_config.json (#189).

Fixes:

• Ensure jupyter_config.json is included in the source distribution and copied correctly when running optimade-client CLI (#189).
• Update test with newest provider list example (#189).

2020.10.26

Changes:

• Add width_ratio and width_space to OptimadeQueryProviderWidget (#188).
• Update to Voilà v0.2.4 (#187).

Fix:

• [binder] Make binder/requirements.txt a full file again (not simply a symlink to requirements.txt) since it should have the requirements from requirements_server.txt as well (#187).

2020.10.14

Changes:

• Revisit dependencies, removing appmode, jupyterlab, and numpy (#184).
  A new installation "extra" (server) has been added, wherein ase and voila has been moved. This fixes the issue raised in #183.
• The CLI is now fully covered and tested (#184).

Developer:

• Code coverage using Codecov has been added (#185).
• CI runs for pushes has been fixed for pushes to branches stable, develop, and push-action/** (the latter for publishing reasons) (#185).
• Add flake8 to pre-commit, updating the CI workflow accordingly (#186).
• Add caching for pre-commit in CI (#186).

2020.10.2

Changes:

• When querying with the default maximum/minimum values for "Number of elements" and "Number of sites", the query parameters are no longer added to the URL query, hopefully ensuring faster handling of the request on the server side (#178).
• Remove click dependency. Convert to using the built-in argparse module for the CLI (#179).

Bug fixes:

• Pagination when using links directly has been fixed (#177).

Developer:

• Update MANITFEST.in to properly include the Jupyter notebook and moved jupyter_config.json file (#180).
• Better handling of the QueryError exception (#178).

2020.10.1

Bug fixes:

• Ensure pagination links are properly parsed when sorted (#174).
  The sorting of the query parameters in a given link was implemented as part of the caching upgrade.
• Use button_style parameter when updating the Download button's HTML (#175).
  button_style was added previously as a variable to the Download button's HTML code, but was not supplied in several format() method calls, resulting in errors and the Download button remaining freezed in the GUI.

2020.9.29

Enchancements:

• Caching (#161).
  Using CacheControl, all HTTP requests are now cached for up to 24h with the lockfile package to ensure Thread safety.
  This should lead to faster load and search times.
  The cache may be flushed at any time by going into debug mode.

Updates:

• New button_style parameter to specify the button's style ("default", "primary", "info", "success", "warning", or "danger") (#171).
  This is available in HeaderDescription, OptimadeQueryFilterWidget, and OptimadeSummaryWidget.

Fixes:

• Update button classes for manually specified buttons (#170).
• Better stability for HTTP requests (#170).
• Fix widget layout settings (#170).

Developer:

• Implement and configure flake8 (#161).
• Keep localhost and 127.0.0.1 out of the cache (#161).

2020.9.27

Change:

• Add direction parameter to OptimadeSummaryWidget, in order to change the direction the structure viewer and summary parts are displayed in.

2020.9.26.post1

Fixes:

• Remove pkginfo dependency, reverting to hardcoding application name and author.
• Use GitHub username as author.
• Add informational.py to the invoke update version task as well as publish on PyPI Actions workflow.

2020.9.26

Enhancements:

• Periodicity can now be specified in the filters through the nperiodic_dimensions property and the multi checkbox input (#142).
• Elements can be specified using the PeriodicTable widget, both including and excluding individual elements (#143).
  Furthermore, it can be specified whether the chosen elements should all be in-/excluded in any given structure, or simply if any of the chosen elements should be in-/excluded.

Minor changes:

• Remove the CIF and PDB conversions via ASE, since this conversion is present twice (#143).
• Update Voilà version to the newest v0.2 (#159, #165).

2020.9.16.dev2

Utilize package_data in setup() to include OPTIMADE logo and Jupyter JSON config file.