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upgrade all tasks to dpdispatcher #749

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merged 4 commits into from
Jun 9, 2022

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@njzjz njzjz commented Jun 8, 2022

This commit upgrades init_reaction and init_surf to use dpdispatcher

This commit upgrades init_reaction and init_surf to use dpdispatcher
@njzjz njzjz marked this pull request as draft June 8, 2022 05:47
@njzjz njzjz marked this pull request as ready for review June 8, 2022 05:47
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codecov-commenter commented Jun 8, 2022

Codecov Report

Merging #749 (a7385c3) into devel (b784351) will increase coverage by 0.47%.
The diff coverage is 64.04%.

@@            Coverage Diff             @@
##            devel     #749      +/-   ##
==========================================
+ Coverage   33.91%   34.39%   +0.47%     
==========================================
  Files          93       93              
  Lines       16562    16771     +209     
==========================================
+ Hits         5617     5768     +151     
- Misses      10945    11003      +58     
Impacted Files Coverage Δ
dpgen/data/reaction.py 0.00% <0.00%> (ø)
dpgen/dispatcher/Dispatcher.py 31.64% <22.22%> (-0.35%) ⬇️
dpgen/data/surf.py 67.33% <66.66%> (+0.13%) ⬆️
dpgen/generator/run.py 63.16% <69.26%> (+0.87%) ⬆️

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dpgen/dispatcher/Dispatcher.py Outdated Show resolved Hide resolved
errlog : str, default=err
path to log from stderr
api_version : str, default=0.9
API version. 1.0 is recommended
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Do you think that we should upgrade the default to 1.0 ?

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Upgrading to 1.0 is a breaking change, so we should do it only before the release of DP-GEN 1.0.0.

@wanghan-iapcm wanghan-iapcm merged commit 828024b into deepmodeling:devel Jun 9, 2022
ZLI-afk pushed a commit to ZLI-afk/dpgen that referenced this pull request Jul 4, 2022
* upgrade all tasks to dpdispatcher

This commit upgrades init_reaction and init_surf to use dpdispatcher

* fix method args

* fix typo

* change the variable name from `work_dir` to `work_path`
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4 participants