search

MolecularAI / Reinvent

Apache License 2.0
338 stars 110 forks source link

reinvent_shared.yml: ResolvePackageNotFound: intel-openmp=2019.5 #17

Closed WorMzy closed 4 years ago

WorMzy commented 4 years ago

The installation instructions currently fail at $ conda env create -n reinvent -f reinvent_shared.yml with the following output:

Collecting package metadata (repodata.json): done
Solving environment: failed

ResolvePackageNotFound: 
  - intel-openmp=2019.5

Indeed, when I search the channels listed in the yml file, there are no 2019.5 variants:

$ conda search -c rdkit -c pytorch -c openeye -c omnia -c anaconda -c conda-forge intel-openmp
Loading channels: done
# Name                       Version           Build  Channel             
intel-openmp                2017.0.4      hf7c01fb_0  anaconda            
intel-openmp                2017.0.4      hf7c01fb_0  pkgs/main           
intel-openmp                2018.0.0               8  anaconda            
intel-openmp                2018.0.0               8  pkgs/main           
intel-openmp                2018.0.0      h15fc484_7  anaconda            
intel-openmp                2018.0.0      h15fc484_7  pkgs/main           
intel-openmp                2018.0.0      hc7b2577_8  anaconda            
intel-openmp                2018.0.0      hc7b2577_8  pkgs/main           
intel-openmp                2018.0.3               0  anaconda            
intel-openmp                2018.0.3               0  pkgs/main           
intel-openmp                  2019.0             117  anaconda            
intel-openmp                  2019.0             117  pkgs/main           
intel-openmp                  2019.0             118  anaconda            
intel-openmp                  2019.0             118  pkgs/main           
intel-openmp                  2019.1             144  anaconda            
intel-openmp                  2019.1             144  pkgs/main           
intel-openmp                  2019.3             199  anaconda            
intel-openmp                  2019.3             199  pkgs/main           
intel-openmp                  2019.4             243  anaconda            
intel-openmp                  2019.4             243  pkgs/main           
intel-openmp                  2020.0             166  anaconda            
intel-openmp                  2020.0             166  pkgs/main           
intel-openmp                  2020.1             217  anaconda            
intel-openmp                  2020.1             217  pkgs/main           
intel-openmp                  2020.2             254  anaconda            
intel-openmp                  2020.2             254  pkgs/main

Does the yml file need updating, or have I missed a step somewhere? Can I substitute 2019.5 for 2019.4, or would one of the 2020 versions be a better option (i.e. backwards compatibility)?

Cheers

CMargreitter commented 4 years ago

Hej, thanks for pointing this out!

Indeed, we had that issue before but forgot to remove the version requirement in the public repository. Try the newest commit, it should work now (and default to some 2020 version).

Please let me know, whether this solved the problem.

WorMzy commented 4 years ago

Thanks for the quick response, and sorry for my slow follow up.

That commit fixed it for me, so I'll close this issue. Thanks again!