aiidaplugins / aiida-crystal17

A plugin for AiiDA, to run the CRYSTAL17 code
https://aiida-crystal17.readthedocs.io
GNU Lesser General Public License v3.0
5 stars 4 forks source link

⬆️ Update to aiida-core v1.4.0 #35

Closed chrisjsewell closed 4 years ago

chrisjsewell commented 4 years ago

✨ Update for compatibility with aiida-core v1.4.0

👌 Support for more input variables:

✨ New PPAN properties calculation, and related parsers

👌 Allow Symmetrise3DStructure to use the pymatgen CIF parser

📚 Update documentation to use myst-nb

🧪 Move to GH Actions for CI testing, and tox configuration, and improve pre-commit code styling

codecov[bot] commented 4 years ago

Codecov Report

:exclamation: No coverage uploaded for pull request base (develop@9886935). Click here to learn what that means. The diff coverage is n/a.

Impacted file tree graph

@@            Coverage Diff             @@
##             develop      #35   +/-   ##
==========================================
  Coverage           ?   88.64%           
==========================================
  Files              ?       93           
  Lines              ?     5999           
  Branches           ?        0           
==========================================
  Hits               ?     5318           
  Misses             ?      681           
  Partials           ?        0           
Flag Coverage Δ
#pytests 88.64% <0.00%> (?)

Flags with carried forward coverage won't be shown. Click here to find out more.


Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 9886935...5919d62. Read the comment docs.