Dear RDKit'ers,
does anyone have experience with the Chemicalite SQLite extension?
https://chemicalite.readthedocs.io/en/latest/index.html
I simply tried to compile within conda with a conda cmake 3.12 and conda
rdkit
cmake chemicalite
-DRDKit_DIR=/app/conda/pkgs/rdkit-2018.09.1-py36h4a7b924_1000/lib/
but get
-- Found Sqlite3: /lib64/libsqlite3.so
CMake Error at
/app/conda/envs/python36/lib/cmake/rdkit/rdkit-config.cmake:6 (include):
include could not find load file:
/app/conda/envs/python36/lib/cmake/lib/rdkit-targets.cmake
Any thoughts?
If this is still up-to-date a SQLite extension is more lightweight than the
Postgres module ...?
Well, if this is somewhat working?
/.Joerg
Some documentation is available online
(https://chemicalite.readthedocs.org/en/latest/) and code is on github
(https://github.com/rvianello/chemicalite). The current revision was
tagged 2013.03.2 and it should play well with the current RDKit
release (only tested on linux though).
--
LinkedIn <http://linkedin.com/in/joergkurtwegner>, Twitter
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