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Read correct frame indices from TNG #430

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merged 3 commits into from Oct 11, 2021

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ezavod
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@ezavod ezavod commented Oct 6, 2021

Depends on chemfiles/tng#1.

Updates the external TNG library to read the correct number of frames in a trajectory. Additionally, store the time of a frame as property, if present.

Fixes #425.

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Luthaf commented Oct 7, 2021

The changes looks good. I don't know why emscripten is failing on CI, I'll look into it.

@Luthaf Luthaf force-pushed the refactor/tng-improvements branch 5 times, most recently from 058d466 to d0cead9 Compare October 7, 2021 13:37
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Luthaf commented Oct 7, 2021

So I managed to update emscripten (sorry for the force push noise …) but it is now failing on MinGW. Seems that the root cause is that tng_io.c is being compiled as C++ instead of C. That's a change from tng_io I though I did not pull in for chemfiles, but we might need to check & change CMakeLists.txt in chemfiles/tng#1.

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ezavod commented Oct 7, 2021

Thanks for your immediate action. I'll revert !27 here and if it works I'll add these changes to chemfiles/tng#1.

Edit: MinGW seems to work now, but codecov is down :-(
It seems we are using an deprecated uploader.

"The /bash endpoint is currently unavailable due to a scheduled brownout. The brownout schedule and more information can be seen found at https://about.codecov.io/blog/codecov-uploader-deprecation-plan/. It is recommended to update this repository to use the binary uploader, instructions can be found at https://docs.codecov.com/docs/codecov-uploader. This endpoint will permanently cease to function on Feb. 1, 2022."

Edit 2: Turns out I had a lot of luck and hit a 15 min time slot perfectly during which codecov had scheduled brownouts for soon-to-be deprecated services. However, simply copy and pasting the new uploader does not work.

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Luthaf commented Oct 11, 2021

Ok, let's merge this and we'll see later how we can have similar code upstreamed!

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TNG: cannot read last frame of 1aki.tng
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