Friday, December 15, 2006

Getting Compilers for AMBER 9

Related Question:

  1. (Dec 7, 2006) Mr. Heil asked about Installing Amber 9 on Mac Pro in the AMBER mail reflector.

In order to install AMBER 9 on Mac OS X operating system, you need to compile the program by yourselves. Therefore a working FORTRAN 90 compiler and a working C compiler are required. Macintosh machines nowadays come with a developer package in the DVD of Mac OS X. You can get a free and working C compiler from the disc.

For FORTRAN 90 compiler, you can get free (as in free beer / freedom) g95 executables package from the ftp site of g95. Remember you might need the cctools provided at the same place if you are using Mac OS X 10.3.

And for gnu fortran (also free as in free beer / freedom), you probably need to compile the stuff by yourself with darwinports or fink to get newer version. Of course, it's always easier just getting the pre-built binaries from here despite I prefer doing it by myself. I personally haven't checked the current version of gfortran and therefore you are on your own to check if it's working with AMBER 9.

For IBM XL compilers, both C++ and FORTRAN compilers are available for reasonable educational price (for a computing lab) from ABSoft fortran store.

Also check out the intel compilers if you have Intel CPU based Macintosh like Mac Pro or new iMac. As a matter of fact, I highly recommend this compiler!

(updated: added a related question entry in the front)