v2.1.0a0
github-actions
released this
20 Oct 15:36
·
79 commits
to master
since this release
What's Changed
- StructureViewer: Print 3 decimal places for distance and angles by @danielhollas in #495
- allow structures with different periodicity, add periodicity by @AndresOrtegaGuerrero in #488
- Bump scikit-learn by @danielhollas in #498
- Make notebook tests less flaky by @danielhollas in #497
- Lazy import optimade_client by @danielhollas in #496
- Structure download section: add
extxyz
andxsf
formats by @yakutovicha in #501 - Add the concurrency setup to CI workflow by @unkcpz in #503
- Remove leftover load profile by @unkcpz in #481
- StructureViewer Download tab: pass file format explicitly by @danielhollas in #504
- Get rid of deprecation warnings in computational_resources.py by @danielhollas in #508
- Computer setup: Fix core.local transport by @danielhollas in #502
- SmilesWidget: Canonicalize SMILES code by @danielhollas in #507
CompResourcesWidget
: do not raise when computer test fails by @yakutovicha in #506- Fix Warning coming from ProcessFollowerWidget by @danielhollas in #512
- DOC: re-strucuture the doc folder by @unkcpz in #514
- Fix .ssh/config file not being closed by @danielhollas in #513
- Improve generation of tough SMILES by @danielhollas in #517
- Remove openbabel dependency by @danielhollas in #518
- Use mock home and monkeypatch ssh parser for ssh config testing by @unkcpz in #523
- Remove warnings in unit tests by @danielhollas in #509
- Fix/xx/increase timeout of di test by @unkcpz in #529
- Template resources setting by @unkcpz in #511
Full Changelog: v2.0.1...v2.1.0a0