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deepmodeling / dpgen

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
https://docs.deepmodeling.com/projects/dpgen/
GNU Lesser General Public License v3.0
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GromacsWrapper causes conda actions failed #614

Closed AnguseZhang closed 2 years ago

AnguseZhang commented 2 years ago

See https://github.com/deepmodeling/dpgen/runs/4484676453?check_suite_focus=true

Solution:

  1. Fix conda action. I did publish successfully with GromacsWrapper in other packages. So don't know what's wrong with linux-64 platform.
  2. Not include GromacsWrapper in offline package. But this will cause users cannot use DP-GEN with Gromacs.
  3. Modify codes and remove GromacsWrapper dependecies.
AnguseZhang commented 2 years ago

@njzjz What do you think of？

njzjz commented 2 years ago

Did you upload GromacsWrapper to our channel?

AnguseZhang commented 2 years ago

No. GromacsWrapper should have already been in conda-forge channel.

njzjz commented 2 years ago

I think conda-forge does not have GromacsWrapper - https://anaconda.org/conda-forge/GromacsWrapper cannot be visited.

AnguseZhang commented 2 years ago

I think conda-forge does not have GromacsWrapper - https://anaconda.org/conda-forge/GromacsWrapper cannot be visited.

You're right. I just created a PR https://github.com/deepmodeling/dpgen/pull/615

njzjz commented 2 years ago

Resolved in the latest version.