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Build package with conda env

Open iwatobipen opened this issue 3 years ago • 5 comments

Dear, Thanks for sharing uself chemoinformaitcs package of Rust! I would like to ask you if I could build the code with rdkit which is installed from conda. By using conda env, I couldn't solve the issue which related static link. Any suggestion, advicces are greatly appreciated. Thanks,

Taka

iwatobipen avatar May 10 '22 11:05 iwatobipen

Hi, I haven't taken a look at this. I need a conda environment to work against. Any tips? I think adding support would be straightforward.

xrl avatar May 23 '22 15:05 xrl

We can leave this open 😄

xrl avatar May 23 '22 15:05 xrl

My trial is described below. Path is hard cooded because I don't know how to get envrionment variable in Rust. https://iwatobipen.wordpress.com/2022/05/24/call-rdkit-from-rust-with-conda-env-rdkit-rust-chemoinformatics/ Thanks, Taka

iwatobipen avatar May 24 '22 12:05 iwatobipen

Thanks for the great writeup! We can absolutely support the Conda env variables. I borrowed a lot of code from other projects and one of them has a build.rs that references conda and env vars. I bet you need to do something similar. Or perhaps the build.rs could call a conda CLI and get a path from there?

I'm going to ask @kraftaa to take a look when she has a chance. Thanks for the feedback!

xrl avatar May 24 '22 15:05 xrl

This code worked fine in my condaenv. Thanks!!

iwatobipen avatar Jun 06 '22 12:06 iwatobipen