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Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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HTMD Installation #959

Closed musabbirsaeed closed 4 years ago

musabbirsaeed commented 4 years ago

I am having an issue with installation. I am getting the following message at the time of installation. """ (base) saeed@saeed:~$ conda install htmd Collecting package metadata (current_repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve. Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source. Collecting package metadata (repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve. Solving environment: | Found conflicts! Looking for incompatible packages. This can take several minutes. Press CTRL-C to abort. failed

UnsatisfiableError: The following specifications were found to be incompatible with each other:

Output in format: Requested package -> Available versions

(base) saeed@saeed:~$ """ Please help me out. Thanks.

stefdoerr commented 4 years ago

Read the installation instructions on the webpage specifically the installation command (you are missing the channels)

musabbirsaeed commented 4 years ago

I already added channels before. Please look at the following message """ (base) saeed@saeed:~$ conda config --add channels acellera Warning: 'acellera' already in 'channels' list, moving to the top (base) saeed@saeed:~$ conda config --add channels psi4 Warning: 'psi4' already in 'channels' list, moving to the top (base) saeed@saeed:~$ conda install htmd Collecting package metadata (current_repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve. Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source. Collecting package metadata (repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve. Solving environment: \ Found conflicts! Looking for incompatible packages. This can take several minutes. Press CTRL-C to abort. failed

UnsatisfiableError: The following specifications were found to be incompatible with each other:

Output in format: Requested package -> Available versions

(base) saeed@saeed:~$ """

stefdoerr commented 4 years ago

You are still missing the conda-forge channel and the acellera channel. Also they need to be added in the correct order so best don't use --add channels. Just do conda install htmd -c acellera -c psi4 -c conda-forge

musabbirsaeed commented 4 years ago

miniconda with "conda install htmd -c acellera -c psi4 -c conda-forge" is working properly. Thanks.