Issue with conda installation

choderalab / espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

https://docs.espaloma.org/en/latest/

MIT License

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Closed pmorerio closed 11 months ago

pmorerio commented 11 months ago

Hi, I am experiencing problems in installing with conda install -c conda-forge "espaloma=0.3.2" as suggested in the README.

Looks like conda gets stuck in solving the environment (more than a day). Solving environment: |

I tried on 3 different machines and also with different python versions (3.6, 3.7, 3.8, 3.9).

Do you have any suggestion - suggested python version etc.?

ijpulidos commented 11 months ago

Interesting, I guess at this point we should just recommend using mamba, instead of conda, that one works for me under Linux and MacOS.

Specifically running mamba create -n espaloma-032 -c conda-forge espaloma=0.3.2 did it for me. I hope that helps.

pmorerio commented 11 months ago

Will try mamba thanks. Let you know if it works

pmorerio commented 11 months ago

Mamba works fine, thank you very much!