Prepare for pypi release

luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations

MIT License

89 stars 24 forks source link

Closed luigibonati closed 1 year ago

luigibonati commented 1 year ago

Target #75

[x] update documentation (see #74)
[x] add requirements into pyproject.toml
[x] update installation instructions for colab (first merge other PR on example notebooks)
[x] code formatted with black
[x] decide which version (major/minor/patch) to release? 0.3.1 or 0.4.0 or 1.0.0alpha?

codecov[bot] commented 1 year ago

Merging #80 (f548ab2) into main (dfeebca) will increase coverage by 0.00%. The diff coverage is 86.98%.