Re: [AMBER] Problems installing Amber24 on M3 Mac

From: Adrian Roitberg via AMBER <amber.ambermd.org>
Date: Thu, 16 Jan 2025 16:32:17 -0500

Try adding this flags to your run_cmake

-DDISABLE_TOOLS="moft"  -DTRUST_SYSTEM_LIBS=TRUE

On 1/16/25 4:19 PM, Sommers, Rachel C. via AMBER wrote:
> [External Email]
>
> Hi, David, thanks so much for these fixes! I applied both these and the ones suggest by Dr. Roitberg, and they worked nicely to overcome this issue.
>
> Unfortunately, the install only made it to 90% before it hit another error, (or rather errors) and this one has me even more clueless as to what is going on.
> I suspect it might be an issue with a bunch of code lines that are deprecated at or pre-C++11, and possibly totally absent in the version I’m running, but honestly I really don’t know.
>
> Here are some examples of some of the errors getting thrown:
>
>
>
> /Users/rachelsommers/MD/amber24_src/AmberTools/src/boost/boost/container_hash/hash.hpp:130:33: warning: 'unary_function<std::type_index, unsigned long>' is deprecated [-Wdeprecated-declarations]
>
>
>
> /Users/rachelsommers/MD/amber24_src/AmberTools/src/boost/boost/container_hash/hash.hpp:673:5: note: in instantiation of template class 'boost::hash_detail::hash_base<std::type_index>' requested here
>
> /Users/rachelsommers/MD/amber24_src/AmberTools/src/boost/boost/container_hash/hash.hpp:575:19: note: expanded from macro 'BOOST_HASH_SPECIALIZE'
>
>
>
> /Library/Developer/CommandLineTools/SDKs/MacOSX15.2.sdk/usr/include/c++/v1/__functional/unary_function.h:23:29: note: 'unary_function<std::type_index, unsigned long>' has been explicitly marked deprecated here
>
>
> /Library/Developer/CommandLineTools/SDKs/MacOSX15.2.sdk/usr/include/c++/v1/__config:1010:41: note: expanded from macro '_LIBCPP_DEPRECATED_IN_CXX11'
>
>
> /Users/rachelsommers/MD/amber24_src/AmberTools/src/boost/boost/container_hash/hash.hpp:658:5: note: in instantiation of template class 'boost::hash_detail::hash_base<unsigned __int128>' requested here
>
>
>
> /Users/rachelsommers/MD/amber24_src/AmberTools/src/boost/boost/container_hash/hash.hpp:575:19: note: expanded from macro 'BOOST_HASH_SPECIALIZE'
>
>
>
> /Library/Developer/CommandLineTools/SDKs/MacOSX15.2.sdk/usr/include/c++/v1/__functional/unary_function.h:23:29: note: 'unary_function<unsigned __int128, unsigned long>' has been explicitly marked deprecated here
>
>
> In file included from /Users/rachelsommers/MD/amber24_src/AmberTools/src/packmol_memgen/packmol_memgen/lib/memembed/src/ga.cpp:2:
>
> /Users/rachelsommers/MD/amber24_src/AmberTools/src/packmol_memgen/packmol_memgen/lib/memembed/src/ga.hpp:45:15: warning: private field 'w' is not used [-Wunused-private-field]
>
> 45 | unsigned int w, x, y, z, c;
>
> | ^
>
> 39 warnings and 2 errors generated.
>
> make[2]: *** [AmberTools/src/packmol_memgen/packmol_memgen/lib/memembed/CMakeFiles/memembed.dir/src/ga.cpp.o] Error 1
>
> make[1]: *** [AmberTools/src/packmol_memgen/packmol_memgen/lib/memembed/CMakeFiles/memembed.dir/all] Error 2
>
> make: *** [all] Error 2
>
>
>
>
> Thanks again,
>
> R.C. Sommers
>
> On Jan 16, 2025, at 11:43 AM, David A Case <dacase1.gmail.com> wrote:
>
> [External Email]
>
> On Thu, Jan 16, 2025, Sommers, Rachel C. via AMBER wrote:
>
> Hi, I’m having some difficulties in getting Amber24 installed on my
> Mac. It has a M3 Pro chip, and is currently running MacOS 14.7.2.
>
> clang: error: unsupported argument 'apple-m3' to option '-mtune='
>
> After some independent research, I am fairly sure that I need to simply
> direct this program to run mtune, mcpu, or whatever else as apple-m2
> instead of apple-m3, as Apple clang does not yet include apple-m3 as a
> supported cpu, but it should still run if directed to use apple-m2 instead
> of native.
>
> Thanks for your report. Unfortunately, the "mtune-native" construct is not
> set in just a single place. Here are the files you need to edit, all under
> amber24_src:
>
> AmberTools/src/cpptraj/cmake-cpptraj/CompilerFlags.cmake
> AmberTools/src/cpptraj/configure
> AmberTools/src/quick/CMakeLists.txt
> AmberTools/src/quick/cmake/CompilerFlags.cmake
> AmberTools/src/quick/configure
> AmberTools/src/quick/quick-cmake/QUICKCudaConfig.cmake
> cmake/CompilerFlags.cmake
>
> I hope I have found everything that needs changing. In each file, change
> "mtune=native" to "mtune=apple-m2" (or just remove the mtune entry
> entirely.)
>
> I don't have access to an Apple M3 machine, so it would be great if you
> could try this and report back.
>
> ...good luck...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

-- 
Dr. Adrian E. Roitberg
Frank E. Harris Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 16 2025 - 14:00:02 PST
Custom Search