![]() ![]() G++ v4.8: though note that the SLN parser code cannot be built with v4.8. This means that the compilers used to build it cannot be completely ancient. Starting with the 2018_03 release, the RDKit core C++ code is written in modern C++ for this release that means C++11. Thanks to Gianluca Sforna’s work, binary RPMs for the RDKit are now part of the official Fedora repositories:Įddie Cao has produced a homebrew formula that can be used to easily build the RDKit Building from Source ¶ $ sudo apt-get install python-rdkit librdkit1 rdkit-data ![]() How to install RDKit with Conda ¶Ĭreating a new conda environment with the RDKit installed requires one single command similar to the following:: The conda source code repository is available on github and additional documentation is provided by the project website. A possible (but a bit more complex to use) alternative is provided with the smaller and more self-contained Miniconda. The easiest way to get Conda is having it installed as part of the Anaconda Python distribution. ![]() It has several analogies with pip and virtualenv, but it is designed to be more “python-agnostic” and more suitable for the distribution of binary packages and their dependencies. It supports the packaging and distribution of software components, and manages their installation inside isolated execution environments. Cross-platform using Conda ¶ Introduction to Conda ¶Ĭonda is an open-source, cross-platform, software package manager. Below a number of installation recipes is presented, with varying degree of complexity. ![]()
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