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theochem / procrustes

Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
https://procrustes.qcdevs.org/
GNU General Public License v3.0
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Failing testing, `test_psdp_woodgate_non_full_rank` #190

Open FanwangM opened 2 years ago

FanwangM commented 2 years ago

Can you check why the testing is failing for https://github.com/theochem/procrustes/runs/8172507556?check_suite_focus=true? I have tried to rerun the testing and it didn't help. I don't know if it's Scipy or Numpy version related or operating system related. The tests work before we merge the PR.

Thank you. @banrovegrie

banrovegrie commented 1 year ago

Yeah I will fix this

banrovegrie commented 1 year ago

It's weird how the issue doesn't exist at all for python3.8+ as well as python3.6-.

FanwangM commented 1 year ago

It's weird how the issue doesn't exist at all for python3.8+ as well as python3.6-.

True. I think it's Windows OS related only as I have tested for many times.

banrovegrie commented 1 year ago

Anyways I think #191 fixes it?

FanwangM commented 1 year ago

I have tested it again on a windows machine with the same working environment (Python 3.7.9 and the same numpy and scipy version) and it works. Also, the current running of tests, https://github.com/theochem/procrustes/runs/8197877947?check_suite_focus=true, works. So, I would guess that's related to the hardware?

What do you think? @PaulWAyers @banrovegrie

PaulWAyers commented 1 year ago

Seems strange, but not implausible, to me. I guess we can specify the hardware in the install?

banrovegrie commented 1 year ago

Maybe, but will that lead to a precision issue as big as 3 decimal places?

banrovegrie commented 1 year ago

Let's have a meet and fix the currently present testing issues. Will anytime on the 10th of October (or later) work?

FanwangM commented 1 year ago

What's the time difference between us now (your current location and Toronto)? @banrovegrie

banrovegrie commented 1 year ago

I got back to college yesterday. So now the time gap is around 9 hours. But I will mostly be available till late at night (India time) which should be around 3:30 PM Toronto time.

banrovegrie commented 1 year ago

@FanwangM any updates?