Re: [AMBER] AmberTools20 comilation on macOS

From: Gustaf Olsson <>
Date: Wed, 6 May 2020 13:38:14 +0000

I can't provide the compile logs today though reinstalling with boost present is not a major task as I think they were all binaries, re-installation should be quick.

Adrian had similar issues with boost from macports as well (earlier in the thread) so I suspect this is not a issue only related to homebrew.

When I have some time I'll reinstall boost and do a failed compile so that I can provide the logs.

Best regards

// Gustaf

Från: David A Case <>
Skickat: den 6 maj 2020 14:31:52
Till: AMBER Mailing List
Kopia: Jamie Smith
Ämne: Re: [AMBER] AmberTools20 comilation on macOS

On Wed, May 06, 2020, Gustaf Olsson wrote:
>So, boost was the culprit. After getting rid of boost I was able to
>compile both the serial and parallel version of amber on both Mojave and
>Catalina with all additional dependencies installed through homebrew
>(gcc, cmake, opem-mpi (python3 as well)).

This is actually an Amber problem in my view (cc-ing to Jamie). The
default behavior is supposed to be to ignore any external boost library
that might be present on your machine; (you could change this with the
FORCE_EXTERNAL_LIBS flag to cmake.)

Is it still possible to check your build report and make log when you
had boost installed (I guess from homebrew)? It looks like some piece of the
cmake build process is going after the external library anyway.

It's not worth spending a lot of time on this, but users should not have
to remove an external boost library in order to compile Amber....


AMBER mailing list
AMBER mailing list
Received on Wed May 06 2020 - 07:00:03 PDT
Custom Search