Re: [AMBER] AmberTools bug in pyresp_gen.py

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 3 Mar 2026 20:51:17 -0700

On Wed, Mar 04, 2026, Vlad via AMBER wrote:
>
>I would like to propose the acceptance of a patch for AmberTools 24
>and 25 that addresses an issue with Python compatibility when using
>Pandas version 3.00 or later.
>
>This issue is not machine-dependent but is affected by the version of
>Pandas being used; specifically, the version from the latest Miniforge
>may produce a syntax error.
>
>In 3 tests in AmberTools/test/py_resp/CH3SCH3-pyrespgen, pyresp_gen.py
>will fail without this patch.

Thanks...I am giving this a try right now.

....dac


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Received on Tue Mar 03 2026 - 20:00:02 PST
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