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Task #2727

Move non-analysis functions out of gmxana

Added by Kevin Boyd 3 months ago. Updated about 9 hours ago.

Status:
In Progress
Priority:
Low
Assignee:
-
Category:
analysis tools
Target version:
Difficulty:
simple
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Description

Several files/tools sitting in the gmxana folder seem more suited for gmxpreprocess, e.g.

-gmx genion
-gmx editconf
-gmx genpr

-gmx tune_pme probably shouldn't be bundled with the analysis tools either, though I'm not sure where it should go.

A few others whose purpose is not solely analysis, but it could be argued they belong here

-gmx make_ndx
-gmx eneconv
-gmx trjconv

Associated revisions

Revision f9c7a4ee (diff)
Added by Kevin Boyd about 17 hours ago

Move non-analysis tools from gmxana to gmxpreprocess

Renamed genpr to genrestr to align with actual gmx <tool> call

refs #2727

Change-Id: I83a1dc6b39915372c4178768354d334c7e911ae2

History

#1 Updated by Gerrit Code Review Bot 3 months ago

Gerrit received a related patchset '1' for Issue #2727.
Uploader: Joe Jordan ()
Change-Id: gromacs~master~I9a87f642482f84770e2cad19f76b21f807184b0f
Gerrit URL: https://gerrit.gromacs.org/8645

#2 Updated by Gerrit Code Review Bot 2 days ago

Gerrit received a related patchset '1' for Issue #2727.
Uploader: Kevin Boyd ()
Change-Id: gromacs~master~I83a1dc6b39915372c4178768354d334c7e911ae2
Gerrit URL: https://gerrit.gromacs.org/8995

#3 Updated by Mark Abraham 2 days ago

Kevin Boyd wrote:

Several files/tools sitting in the gmxana folder seem more suited for gmxpreprocess, e.g.

-gmx genion
-gmx editconf
-gmx genpr

Sure

-gmx tune_pme probably shouldn't be bundled with the analysis tools either, though I'm not sure where it should go.

src/gromacs/tools I guess

A few others whose purpose is not solely analysis, but it could be argued they belong here

-gmx make_ndx
-gmx eneconv
-gmx trjconv

They could move to tools too, perhaps.

#4 Updated by Kevin Boyd about 10 hours ago

  • Status changed from New to In Progress

#5 Updated by Gerrit Code Review Bot about 9 hours ago

Gerrit received a related patchset '1' for Issue #2727.
Uploader: Kevin Boyd ()
Change-Id: gromacs~master~Idf8375b672fbb6e4676fa22b9eb9c33d1b347166
Gerrit URL: https://gerrit.gromacs.org/9002

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