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TPRParser does not support TPX version 129 from Gromacs 2023 #4047

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bosonie opened this issue Mar 1, 2023 · 3 comments · Fixed by #4052
Closed

TPRParser does not support TPX version 129 from Gromacs 2023 #4047

bosonie opened this issue Mar 1, 2023 · 3 comments · Fixed by #4052

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@bosonie
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bosonie commented Mar 1, 2023

Gromacs2023 is out and, similarly to what happened with previous releases, TPRParser complains about the TPX version.
The actual error is:

NotImplementedError: Your tpx version is 129, which this parser does not support, yet

What is the course of actions in this cases? Just to have a timeline for when we will be able to use Gromacs2023 and MDAnalysis.

Thanks!

@orbeckst
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orbeckst commented Mar 1, 2023

Someone will need to reverse-engineer the new TPX file format version and implement it in our TPR reader.

@jbarnoud are you able to look at this?

@orbeckst orbeckst added this to the 2.5.0 milestone Mar 1, 2023
@jbarnoud jbarnoud self-assigned this Mar 2, 2023
@jbarnoud
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jbarnoud commented Mar 2, 2023

This version was surprisingly easy to deal with. I just submitted a pull request.

@orbeckst
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orbeckst commented Mar 2, 2023

@bosonie if you want the feature, you have to either wait for release 2.5.0 or install the development version.

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3 participants