Intel Mac OS X
Under Mac OS X, due to the free availability of XCode Tools which can be freely downloaded upon registration, we did not attempt to build Open3DGRID with other tools. For BLAS and LAPACK functionality, we could not rely on the Accelerate Framework bundled in the XCode Tools since, as of Mac OS X 10.7, it is not thread-safe.
Therefore you will need to build and install the ATLAS libraries including full LAPACK functionality according to the instructions reported on the ATLAS website.
First, you will have to install Open3DQSAR and its dependencies as described in detail here. Afterwards, you simply need to move to the folder where you have downloaded
Yare the major and minor version numbers, and build
$ tar -xzf open3dgrid-X.Y.tar.gz
$ cd open3dgrid-X.Y
$ ./configure CC=gcc-4.2 \
CFLAGS="-Wall -O3 -msse3 -m64 \
Clearly, the paths reported in the example above might vary slightly according to your specific installations details.
$ make install
These commands will build Open3DGRID for a 64-bit CPU with SSE3 extensions and install the
open3dgridexecutable binary into
/build/binand documentation into
/build/share/doc/Open3DGRID. You might have to tweak the value of the
CCvariable according to the version of your XCode Tools.