Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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unable to install htmd, glibc incompatible #1038

Closed chenludi closed 1 year ago

chenludi commented 1 year ago

Hi,

I am unable to install htmd by minoconda. Here is the error I got. I also tried not specifying the version of htmd and I got the same error.

conda install -c acellera htmd=2.1.6
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 versionsThe following specifications were found to be incompatible with your system:

  - feature:/linux-64::__glibc==2.35=0
  - feature:|@/linux-64::__glibc==2.35=0

Your installed version is: 2.35

I used the latest minoconda

conda --version
conda 4.12.0

I constructed conda environment with python=3.8

conda create --prefix ./condaenv/py38htmd python=3.8

I also had the same problem with another Linux server which has an old glibc version (2.17). In this server, I had reported errors about version incompatibility of the glibc when using anaconda/2022.05. I also tried to use previous anaconda versions, anaconda/2020.11 and anaconda/2020.02. It keeps asking me to register when using these two versions of anaconda.

stefdoerr commented 1 year ago

Hi, I am currently trying to build moleculekit for older glibc versions to fix this issue. I'll update you here once it's done.

stefdoerr commented 1 year ago

Hi @chenludi can you try again now? It should be pulling version 1.4.5 of moleculekit which doesn't have glibc issues. Actually I see now that your installation command is not correct. Please install with:

conda install htmd=2.2.0 python=3.10 -c acellera -c conda-forge
chenludi commented 1 year ago

Thank you for the fast response! @stefdoerr

I installed htmd according to your command. I didn't get glibc error anymore. However, I have registration problems.

I first tried htmd_register and filled in the information. It returns with Cannot read the registration file when importing the package.

Then I called htmd_register() in python shell and filled up the information as suggested. However, I was asked to register again.

In addition, it returns with Registration completed! every time.

Thank you!

stefdoerr commented 1 year ago

@chenludi Right I can reproduce this. There is some issue with the license server. I'll try to fix this ASAP

stefdoerr commented 1 year ago

Hi @chenludi this should be fixed now. Give it another try

chenludi commented 1 year ago

Thank you! It works well now.