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Add gromacswrapper to conda recipe #615

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AnguseZhang
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codecov-commenter commented Dec 12, 2021

Codecov Report

Merging #615 (e4be539) into devel (32a9996) will not change coverage.
The diff coverage is n/a.

@@           Coverage Diff           @@
##            devel     #615   +/-   ##
=======================================
  Coverage   35.12%   35.12%           
=======================================
  Files          96       96           
  Lines       16793    16793           
=======================================
  Hits         5898     5898           
  Misses      10895    10895           

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- python
run:
- matplotlib-base
- numkit
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This package is not available yet.
I think you can submit to https://github.com/conda-forge/staged-recipes instead? We do not need to maintain every package by ourselves.

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I agree with you.
We can submit the recipes to conda-forge. But I found some PRs have been in progressing for a long time before they can be merged into conda-forge, so I also submitted numkit recipe, which can solve the problem currently. @felix5572 Maybe would you like to join this?

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However, I don't think it needs to be summited to DP-GEN's repository.

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@njzjz We decide to publish 0.10.4 version tomorrow, and I haven't submitted the recipes to conda-forge yet. But I still hope to merge this PR first to let offline package be available for the community. What's your opinion ?

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You also need to publish packages to our channel

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A problem here is that we need to build the dependencies and upload to deepmodeling's channel. However, adding them here won't build and upload automatically, so I do not see the meaning of this PR.

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njzjz commented Jul 10, 2022

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These two recipes are added to

This PR could be closed.

netCDF4's dependency should be added. https://github.com/deepmodeling/dpgen/pull/792/files

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3 participants