Workaround to fix and install openbabel bindings #161
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added 5 commits
December 11, 2024 18:05
Other requirements are SWIG and openbabel dev files
Use Debian stable as the base, no need to build openbabel, since it is in the recent state since Bullseye
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Attempt to make
pip install plipjust work.pip install plipfails due to a bug in openbabel python bindings distribution on pypi. [0]The changes from this PR will check if openbabel bindings module is loadable and if not, will attempt to download, fix and install them during plip build process.
On recent Debian/Ubuntu systems, it is sufficient to install the python3-openbabel package, which will pull all the necessary binary dependencies. If pre-packaged bindings are not present, the requirements are OpenBabel development files, the OpenBabel library, SWIG, and pkg-config, since OpenBabel's setup.py relies on pkg-config and properly installed OpenBabel.
[0] openbabel/openbabel#2408