changes for the 2.1 release #79

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opened 2025-10-14 17:06:15 -06:00 by navan · 0 comments

navan commented

2025-10-14 17:06:15 -06:00

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Originally created by @adalke on 5/8/2018

This is a rather heavy patch. It contains the following changes:

support RDKit 2018.03 SMILES which uses "" for wildcard atoms instead of "[]"
added the tests/* files to the distribution
added a CHANGELOG.md to document the changes
updated the code so it can be distributed on PyPI:
- renamed LICENSE to LICENSE.txt
- linked to the home page on github
- added setup.cfg to to build "universal" wheels
- switched to using setuptools so wheels would work
changed the version number to 2.1

*Originally created by @adalke on 5/8/2018* This is a rather heavy patch. It contains the following changes: - support RDKit 2018.03 SMILES which uses "*" for wildcard atoms instead of "[*]" - added the tests/* files to the distribution - added a CHANGELOG.md to document the changes - updated the code so it can be distributed on PyPI: - renamed LICENSE to LICENSE.txt - linked to the home page on github - added setup.cfg to to build "universal" wheels - switched to using setuptools so wheels would work - changed the version number to 2.1