[Rdkit-discuss] RDKIT missing C++ header files while compiling Shape-It

[Nickolas J. <Nic...@eu...>]

Good afternoon,

I am attempting to compile and build Shape-It using Visual Studio and Anaconda . I believe I have all of my variables and environment configured correctly, although I could be wrong as well of course but the issue I am running into is when I attempt to build the project, and have confirmed that the build files have been written to the project folder, I run into errors in regards to some missing C++ header files it is searching for within RDKIT I believe. I know RDKIT is installed in my conda environment, and some of these C++ header files or source files is for GraphMol for example. I've looked everywhere in my conda environment or prefix conda environment and even outside my conda environment in Windows, GraphMol is not found anywhere on the machine. Not sure if I am missing something, but any insight is greatly appreciated. My colleague was able to install Shape-It successfully on Linux with no issues, and apparently no tweaking of environment variables whatsoever.

Is Shape-It even possible to build on Windows? Thank you in advance

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Best regards,


Nick Jones
IT Support Engineer

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Eurofins Panlabs Inc.
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