Re: [AMBER] Warning tells me to report

From: David A Case via AMBER <>
Date: Wed, 15 Feb 2023 09:39:56 -0500

On Tue, Feb 14, 2023, Bryan Cox via AMBER wrote:

>Just got AMBER22, and I’m following the installation instructions from
>the manual. While running “make install”, I get the following error at

> File "/Users/bcox/amber/amber22_src/AmberTools/src/pytraj/", line 171, in <module>
> prepare_env_for_osx()
> File "/Users/bcox/amber/amber22_src/AmberTools/src/pytraj/", line 165, in prepare_env_for_osx
> warnings.warn("darwin_major_to_osx_map needs to be updated! Report this issue if build fails.")

grrr....When you add the idiosyncracies (e.g. frequent changes that destroy
backward comopatibility) of python to those of OSX, stir into the mixture
the fact that most Amber developers (including me) know little about either,
the combination can be quite dangerous.

Try this: edit your amber22_src/AmberTools/src/pytraj/ script, to
add the following entry at about line 156:

              '22': '13.1',

(comes right after the line that defines '21'.)

>NameError: name 'warnings' is not defined. Did you mean: 'Warning'?

Also, at the top of the file (about line 16) add the following:

     import warnings

You may need to make similar changes to the script in the parmed

Caveat: I can't test these since I don't have easy access to a machine
running OSX 13 (Ventura) -- I'm guessing that you must be doing that(?)

Let us know if this does or doesn't help.


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Received on Wed Feb 15 2023 - 07:00:02 PST
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