Amber-MD / cpptraj

Biomolecular simulation trajectory/data analysis.
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Handle blank lines at the end of Karplus data file for jcoupling action #1088

Closed drroe closed 5 months ago

drroe commented 5 months ago

6.27.1.

Fixes behavior where CPPTRAJ would segfault if there were blank lines at the end of the Karplus data file in the jcoupling action.

drroe commented 5 months ago

@hainm any insight into the pytraj error here: https://github.com/Amber-MD/cpptraj/actions/runs/9685730413/job/26726487745?pr=1088

Could it be related to the recent changes? As far as I can tell this change shouldnt affect pytraj at all.

hainm commented 5 months ago

I think it does. (Guess that from reading the title). I will confirm this later (on the way home)).

Hai

On Wed, Jun 26, 2024 at 4:17 PM Daniel R. Roe @.***> wrote:

@hainm https://github.com/hainm any insight into the pytraj error here: https://github.com/Amber-MD/cpptraj/actions/runs/9685730413/job/26726487745?pr=1088

Could it be related to the recent changes? As far as I can tell this change shouldnt affect pytraj at all.

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hainm commented 5 months ago

I think it does. (Guess that from reading the title). I will confirm this later (on the way home)).

Oh, my mistake. It's because I did code refactoring and the code uses strenum

I will fix this.

In this pytraj's PR, the tests were run with latest python version. That's why tests didn't fail. https://github.com/Amber-MD/pytraj/pull/1657

hainm commented 5 months ago

green now

image
drroe commented 5 months ago

Thanks Hai!