Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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Installation Error: acemd >=2019.01.24 , which does not exist #1085

Closed Jingdan-Chen closed 3 months ago

Jingdan-Chen commented 3 months ago

$ conda create -n md-analysis $ conda activate md-analysis $ conda install htmd=1.19 -c acellera -c psi4 -c conda-forge

Error information:

Channels:
 - acellera
 - psi4
 - conda-forge
 - defaults
Platform: linux-64
Collecting package metadata (repodata.json): done
Solving environment: failed

LibMambaUnsatisfiableError: Encountered problems while solving:
  - nothing provides acemd >=2019.01.24 needed by htmd-deps-1.19-py37_0

Could not solve for environment specs
The following package could not be installed
└─ htmd 1.19**  is not installable because it requires
   └─ htmd-deps 1.19 , which requires
      └─ acemd >=2019.01.24 , which does not exist (perhaps a missing channel).

installing acemd with conda install -c conda-forge -c acellera acemd is ok, but install htmd using above command still fails with the same error info.

stefdoerr commented 3 months ago

It's very difficult to install such old versions. Do you have a specific reason for wanting that version? Generally newer versions include many bugfixes

Jingdan-Chen commented 3 months ago

This actually happens when I want to replicate the work of https://github.com/torchmd/torchmd-protein-thermodynamics But now I am good with htmd=2.3.19. Thanks!