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Issues with installation #3

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nicolapozzi opened this issue Dec 13, 2022 · 2 comments
Open

Issues with installation #3

nicolapozzi opened this issue Dec 13, 2022 · 2 comments

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@nicolapozzi
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Hi Fabio - I tried to install FRETraj using conda and pip but it doesn't work (see screenshots). I am using a Mac. Latest Ananconda distirvution. Any idea? Thank you. Nicola

conda_issue
pip issue_01
pip issue_02
@felixErichson
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Hey,
have you tried to install FRETraj into a new environment? Maybe there are some package conflicts with FRETraj and the programs in the base environment.

Try the following commands:

conda create --name fretraj_env

conda activate fretraj_env

conda install -c conda-forge fretraj

@fdsteffen
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Hi Nicola,
As far as I see the problem lies with the mdtraj dependency (https://www.mdtraj.org/1.9.8.dev0/index.html and not fretraj itself) which requires compilation from source as no wheel files are available. From your screenshot it seems that the llvm-ar binary is not found. Maybe this workaround helps?
Best, Fabio

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@fdsteffen @felixErichson @nicolapozzi