We could provide the header files from Code/RDGeneral. This would facilitate reuse for downstream libraries that would like to build on top of rdkit, like https://github.com/NVIDIA-Digital-Bio/nvMolKit (see their usage here).
Code change would go here
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# RDKit stubs directory |
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dir_rdkit_stubs = path_site_packages / "rdkit-stubs" |
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# Data directory |
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rdkit_data_path = rdkit_install_path / "share" / "RDKit" / "Data" |
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# Contrib directory |
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rdkit_contrib_path = rdkit_install_path / "share" / "RDKit" / "Contrib" |
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# Setuptools searches at this path for files to include |
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wheel_path = Path(self.get_ext_fullpath(ext.name)).absolute().parent |
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wheel_path.mkdir(exist_ok=True) |
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# Copy RDMKit files to .../rdkit directory |
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def _logpath(path, names): |
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ignore_patterns |
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print(f"In directory {path} copy files: {names}", file=sys.stderr) |
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return ignore_patterns("*.pyc")(path, names) |
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# Copy the RDKit stubs files to the rdkit-stubs wheels path |
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copytree(dir_rdkit_stubs, wheel_path / "rdkit-stubs", ignore=_logpath) |
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# Copy the Python files |
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copytree(path_site_packages / "rdkit", wheel_path / "rdkit", ignore=_logpath) |
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# Copy the data directory |
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copytree(rdkit_data_path, wheel_path / "rdkit" / "Data", ignore=_logpath) |
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# Copy the contrib directory |
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copytree(rdkit_contrib_path, wheel_path / "rdkit" / "Contrib", ignore=_logpath) |
