[Rdkit-devel] bivariate_normal deprecation

Hi All, What is the best way to rewrite in rdkit.Chem.Draw import SimilarityMaps def calcAtomGaussians(mol, a=0.03, step=0.02, weights=None): As mlab.bivariate_normal ​​ is deprecated. Should we use scipy multivarate

Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation

This is indeed almost certainly due to the version of boost being “too new” for the version of cmake. I took advantage of a new cmake feature without fully thinking through the consequences of how picky cmake is about it. I’m going to revert this change to the build system before the 2018.03.2 rel

Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation

On May 3, 2018, at 18:44, alb greg wrote: > I installed cmake, python-dev, libsqlite3-dev, NumPy and Boost as required. > > I tried to specify options like boost and python directories but it didn't > solve anything. > CMake Error at Code/cmake/Modules/RDKitUtils.cmake:57 (add_library): > Tar

[Rdkit-devel] RDKit 2018.03.1 Build and Installation

Hello everyone, I'm an IT and I'm writing in connection with the installation process of RDKit. I have to install the latest version of RDKit (2018.03.1) on several workstations running on Ubuntu 16.04 but the building sequence systematically went wrong on the "cmake .." step (see logs below). I