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xiaoruiDong / RDMC

Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.
https://xiaoruidong.github.io/RDMC/
MIT License
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Enable installation by conda #56

Closed xiaoruiDong closed 10 months ago

xiaoruiDong commented 10 months ago

Within the PR, the following is done:

  1. Create a conda recipe to build conda package
  2. Update the license file of the package, majorly extending the years
  3. Update the setup.py file of the package, majorly extending/correcting the contents
  4. Add a new Github Action for publishing conda package when a new version is released. I haven't tested it yet and leave it as a future work. A token is also added to the secret of this repo.
  5. Update the README about the new way of installation
  6. Add a Pull Request template (not relevant to this PR, but I am too lazy)

The conda package is published at channel xiaoruidong (my personal channel). As this is a pure python package, only noarch version is built and published.