Re: [AMBER] more on building Amber18 on Mojave

From: David A Case <>
Date: Wed, 17 Oct 2018 13:25:29 -0400

On Mon, Oct 15, 2018, David Case wrote:

Some more notes on getting AmberTools18/Amber18 built on Mojave:

The new Xcode doesn't provide much (any?) support for libstdc++,
preferring libc++ instead. So:

    a. Comment out lines 2237-2241 in AMBERHOME/AmberTools/src/configure2:
         (these lines refer to libstdc++)
    b. In line 142 of (in the pytraj folder), change
        "libstdc++" to "libc++"

Then a "./configure -macAccelerate clang" seems to be working for me.
(Answer "yes" when asked to download miniconda; might also work with a
different python you already have, but I've not tried that yet.)

I'm repeating here some notes from an earlier post as well:

> ---------------------------------------------------------------------------
> 1. As noted before (by Andrew Schaub), you need to get the headers in the
> proper location. Try this:
> sudo xcode-select --install (to get the command-line tool installed)
> open /Library/Developer/CommandLineTools/Packages/macOS_SDK_headers_for_macOS_10.14.pkg
> ---------------------------------------------------------------------------
> 2. For some reason, you have to tell the miniconda installation what
> version of the OS you have:
> ---------------------------------------------------------------------------
> 3. If you get "token not found errors" with -macAccelerate, try this:
> sudo port install ld64 +ld64_xcode (this is specific to macports)
> ---------------------------------------------------------------------------


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Received on Wed Oct 17 2018 - 10:30:03 PDT
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