Re: [AMBER] Failing to compile AmberTools16 on Mac Sierra with Fink

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 3 Oct 2016 19:32:12 -0400

On Mon, Oct 3, 2016 at 5:26 PM, Alan <alanwilter.gmail.com> wrote:

> Hi there,
>
> I am wondering if someone else had succeeded, I am doing this:
>
> - editting $AMBERHOME/AmberTools/src/configure2: use gcc-fsf-5 g++-fsf-5
> gfortran-fsf-5
> - cd $AMBERHOME; ./configure --with-python /sw/bin/python3.5 -macAccelerate
> gnu
>
> ...
> Compiling the NetCDF Fortran interface (may be time-consuming)...
> Error: Could not compile with NetCDF Fortran interface.
> gfortran-fsf-5 -fPIC -I/Users/alan/Programmes/amber16/include -o
> testp testp.f90 /Users/alan/Programmes/amber16/lib/libnetcdff.a
> /Users/alan/Programmes/amber16/lib/libnetcdf.a
> Compile error follows:
> Undefined symbols for architecture x86_64:
> "_nf__create_", referenced from:
> ...
> ___netcdf_MOD_nf90_sync in libnetcdff.a(netcdf.o)
> ld: symbol(s) not found for architecture x86_64
> collect2: error: ld returned 1 exit status
>
> Error: NetCDF build failed.
> Configure failed due to the errors above!
>

​For what it's worth, configure now respects CC, FC, and CXX environment
variables, so you no longer have to hack configure2 to use different GCC
compilers.

​Another idea is to build NetCDF using Fink and use "--with-netcdf" to
point to that NetCDF install. You can also use the "clang" compiler which
will use gfortran from Fink and clang/clang++ from XCode.

Just things to try. But I think MacPorts and Homebrew are more common
package managers used for Macs.

I've also tried just downloading a gfortran binary and using that with the
clang compilers and it's worked fine.

HTH,
Jason
-- 
Jason M. Swails
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Received on Mon Oct 03 2016 - 17:00:02 PDT
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