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From the `perses` side of things we noted a discrepancy when analyzing the Nonbonded forces in our test systems.
Original issue in perses: https://github.com/choderalab/perses/pull/1124
A table …
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### This is a pyzmq bug
- [X] This is a pyzmq-specific bug, not an issue of zmq socket behavior. Don't worry if you're not sure! We'll figure it out together.
### What pyzmq version?
26.0.3
### Wh…
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### Describe the feature you'd like to request
Currently there is no way by using the Markdown to set a link to open on a new tab, as it is also described in https://github.com/executablebooks/MyST-P…
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## Description
I know the 'editor out of sync' issue has been a long-standing problem (cf #2951). I _think_ I've found a semi-reliable way to trigger it, so I'm opening it here as a new issue as it…
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Hi! I'm trying to upgrade [the turing way book](https://the-turing-way.netlify.com/introduction/introduction) to the new [jupyter-book beta version](https://github.com/ExecutableBookProject/cli) and f…
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I'm packaging your module as an rpm package so I'm using the typical PEP517 based build, install and test cycle used on building packages from non-root account.
- `python3 -sBm build -w --no-isolatio…
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### Describe the bug
The execution of `make linkcheck` never ends: the only way to stop it is Ctrl+C.
### How to Reproduce
Not sure how to reproduce: we have about 1200 `.md` source files.
### Env…
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When I try to import hdbscan I get following error:
`---------------------------------------------------------------------------
ValueError Traceback (most recent ca…
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Hiyo,
I ran into an issue while wrapping jahs bench with a given config. Using the trajectory functionality will fail but manually iterating over the epochs will success. I've attached the config, …
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### Data Type
In Situ
### Assessment Category
Climate Monitoring
### Dataset Name
insitu-gridded-observations-europe
### Question Number
3
### Workflow ID
eqctier3-12f4a033-…