External libraries

The installation details for Mas OS X use Homebrew. However, the libraries can also be installed using MacPorts.

1. C and fortran compilers

Using either gcc or clang to compile MAGEMin is up to you as the runtime performances are similar. However, in the event you want to modify MAGEMin for your own use, I would advice that you compile MAGEMin with clang as the error handling system is more strict which will save you from having unexpected segfaults errors…

brew install llvm
brew install gcc

Note that the gcc package comes with gcc, g++ and gfortran

2. MPICH (Message Passing Interface)

brew install mpich

Note that openmpi can equally be used.

3. lapacke (C version of the fortran lapack library, should now be included in the lapack libraries)

brew install lapack

If the lapacke libraries are not included you can download the lapack package from netlib that includes it.

4. NLopt (Non Linear optimization library)

NLopt can be installed using

brew install nlopt

MAGEMin

Choose the C compiler in the first line of the Makefile by commenting out one

#CC=gcc
CC=clang

Make sure the MPICH paths for libraries and include directory in the Makefile are correct for instance:

LIBS   += (...) /opt/homebrew/lib/libmpich.dylib
INC     = (...) -I/opt/homebrew/include

Do the same for lapacke:

LIBS   += (...) /opt/homebrew/opt/lapack/lib/liblapacke.dylib
INC    += (...) -I/opt/homebrew/opt/lapack/include

And NLopt:

LIBS   += (...) /opt/homebrew/lib/libnlopt.dylib

Which should give:

LIBS    = -lm -framework Accelerate /opt/homebrew/opt/lapack/lib/liblapacke.dylib /opt/homebrew/lib/libnlopt.dylib /opt/homebrew/lib/libmpich.dylib
INC     = -I/opt/homebrew/opt/lapack/include -I/opt/homebrew/include

Note that this setup is provided by default in the Makefile for Mac OS X. As long as you installed every package using Homebrew you should be able to install MAGEMin without modifying these entries.

If you decided to use openmpi instead of mpich your Makefile should look like:

LIBS    = -lm -framework Accelerate /opt/homebrew/opt/lapack/lib/liblapacke.dylib /opt/homebrew/opt/nlopt/lib/libnlopt.dylib /opt/homebrew/opt/openmpi/lib/libmpi.dylib
INC     = -I/opt/homebrew/opt/openmpi/include/ -I/opt/homebrew/opt/lapack/include -I/usr/local/include -I/opt/homebrew/opt/nlopt/include/

Then simply enter MAGEMin directory and compile MAGEMin as:

make clean; make all;

Note that by default the optimization flag -O3 and debugging flag -g are used.

To test if MAGEMin compilation was successful you can for instance check the version of MAGEMin by running:

./MAGEMin --version