Trouble installing: htmd does not exist

Acellera / htmd

HTMD: Programming Environment for Molecular Discovery

https://software.acellera.com/docs/latest/htmd/index.html

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Trouble installing: htmd does not exist #1080

Closed MarioAsti8 closed 9 months ago

MarioAsti8 commented 9 months ago

I tried to install HTMD using the commands in the documentation. However, it wasn't able to find the package:

mamba install htmd -c acellera -c conda-forge

Could not solve for environment specs The following package could not be installed └─ htmd does not exist (perhaps a typo or a missing channel).

Any clue? Thanks!

stefdoerr commented 9 months ago

HTMD does not exist for Windows/Mac (only Linux). There are a few of its dependencies which don't exist on Windows. You can try installing it manually from the repository but I can't guarantee it will work. I might take a look at it next week to see if nowadays the dependencies have made Windows releases but no promises as we can't provide support for it either.

stefdoerr commented 9 months ago

Hey, HTMD now exists for Windows! I cannot offer any real support though since I don't use Windows and also it's missing some important dependencies like ACEMD (for the simulations), AmberTools (for building AMBER systems) and PLUMED (for doing complex trajectory analyses). But feel free to give it a try if you want.