VGA/GroupAdd/DataDir.py: function to return data (parameter library) directory, either embedded one or one pointed to via VGA_DATA_DIR envvar
VGA/GroupAdd/Library.py and VGA/GroupAdd/Scheme.py: altered to use DataDir.py functionality
VGA/__init__.py: added name and __version__ symbols
The setup.py is present for build/install of this package. Via pip it DOES NOT check for the presence of RDKit in the Python environment. The MANIFEST.in file is necessary for the VGA/data content to be retained in the installable packages — you must update it VGA/datais restructured.
Build descriptors for conda have been added in conda-pieces.
Changes:
VGA/GroupAdd/DataDir.py: function to return data (parameter library) directory, either embedded one or one pointed to viaVGA_DATA_DIRenvvarVGA/GroupAdd/Library.pyandVGA/GroupAdd/Scheme.py: altered to useDataDir.pyfunctionalityVGA/__init__.py: addednameand__version__symbolsThe
setup.pyis present for build/install of this package. Viapipit DOES NOT check for the presence of RDKit in the Python environment. TheMANIFEST.infile is necessary for theVGA/datacontent to be retained in the installable packages — you must update itVGA/datais restructured.Build descriptors for conda have been added in
conda-pieces.