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lich-uct / nonpher

Nonpher: software for design of hard-to-synthesize structures
GNU General Public License v3.0
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The enviroment not work #3

Closed yvquanli closed 11 months ago

yvquanli commented 2 years ago

They are not work

conda create -n nonpher -c conda-forge -c rdkit -c lich nonpher rdkit=2018.3.1 molpher-lib=0.0.0b2 libboost=1.65.1
conda create -n nonpher -c conda-forge -c rdkit -c lich nonpher rdkit molpher-lib
yvquanli commented 2 years ago

/libmolpher.so.0.0: undefined symbol: _ZNK5RDKit4Atom9getSymbolB5cxx11Ev

ModuleNotFoundError: No module named '_core'

martin-sicho commented 2 years ago

Sorry for the late reply. I missed this. I think there is probably a mismatch with rdkit version. You could try to use the latest version of molpher-lib instead and see if correct dependencies get pulled with that one.

yvquanli commented 2 years ago

OK