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Add the 'time' action #722

Merged
merged 13 commits into from
May 20, 2019
Merged

Add the 'time' action #722

merged 13 commits into from
May 20, 2019

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drroe
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@drroe drroe commented May 20, 2019

Add the time action for modifying time information in frames.

  [help time]
	{time0 <initial time> dt <step> [update] | remove}
  Add, modify, or remove time information from each frame.
    time0 <initial time> : Time of the first frame (ps).
    dt <step>            : Time step between frames (ps).
    update               : If specified, modify any existing time info.
    remove               : Remove any time info from frame.

Also adds tests for each of these modes and updates the manual.

@drroe drroe added new action New Command New command for cpptraj labels May 20, 2019
@drroe drroe self-assigned this May 20, 2019
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drroe commented May 20, 2019

It's not clear to me from the logs why the parallel Jenkins build failed. Going to try and retrigger.

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drroe commented May 20, 2019

run jenkins

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drroe commented May 20, 2019

Figured it out - needed to protect the test in parallel; NetCDF writes in parallel require parallel NetCDF which none of the MPI test rigs currently have. I wonder if I should consider bundling parallel NetCDF with cpptraj.

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drroe commented May 20, 2019

Appveyor is still queued, but since Travis, Jenkins, and LGTM are happy I'm going to go ahead and merge now.

@drroe drroe merged commit 16f56d6 into Amber-MD:master May 20, 2019
@drroe drroe deleted the timeaction branch May 20, 2019 14:39
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swails commented May 20, 2019

Figured it out - needed to protect the test in parallel; NetCDF writes in parallel require parallel NetCDF which none of the MPI test rigs currently have.

You can always add it to the Dockerfile.

Then the Jenkins builds will have it, regardless of which slave it runs on.

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