GEM for RDKIT, an Open-Source Cheminformatics Software
- cmake 3.8 or later
- curl
- tar, sed, make (those should be present anyway)
- SWIG 2 or later
- python header (
python-dev) - sqlite (
sqlite3-dev) - boost > 1.58 (
libboost-all-dev) - gcc - no later than 9.3.0, current code does not work with gcc-10
gem install openbabel
It downloads the sources, compiles and installs RDKIT with the ruby bindings. The installation may last very long - please be patient.