Linux

You have different options to build Open3DALIGN under Linux.

Using Oracle Solaris Studio Compilers and the Sun Performance Library

Oracle Solaris Studio Compilers for Linux can be freely downloaded upon registration. The suite includes a C and a Fortran compiler plus the Sun Performance library which includes BLAS and LAPACK routines needed by Open3DALIGN. After installing Oracle Solaris Studio compilers (as of now the latest version is Oracle Solaris Studio 12 update 3), the first step is installing Open3DQSAR and its dependencies as described in detail here. Then, move to the folder where you have downloaded open3dalign-X.Y.tar.gz, where X and Y are the major and minor version numbers, and build open3dalign:

$ tar -xzf open3dalign-X.Y.tar.gz
$ cd open3dalign-X.Y/ $ ./bootstrap
$ ./configure CC=suncc \
        CFLAGS="-erroff=%none -fast \
        -D_GNU_SOURCE -I/build/include"\
        LDFLAGS=-L/build/lib64 \
        --with-sunperf \
        --prefix=/build

Clearly, the paths reported in the example above might vary slightly according to your specific installations details.

Subsequently, type

$ make
$ make install

These commands will build Open3DALIGN for a 64-bit CPU with SSE3 extensions and install the open3dalign executable binary into /build/bin and documentation into /build/share/doc/Open3DALIGN. You might have to tweak the path to CBLAS, libedit and libo3q according to the specific features of your system.



Using the Intel C Compiler and the Intel Math Kernel Library

The Intel C Compiler for Linux as well as the Intel Math Kernel Library can be freely downloaded for non-commercial use. Then 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 open3dalign-X.Y.tar.gz, where X and Y are the major and minor version numbers, and build open3dalign:

$ tar -xzf open3dalign-X.Y.tar.gz
$ cd open3dalign-X.Y
$ ./bootstrap
$ ./configure CC=icc \
        CFLAGS="-Wall -O3 -xSSE3 -m64 \
        -I/build/include" \
        LDFLAGS="-L/build/lib64" \
        --with-intel-mkl \
        --prefix=/build
$ make
$ make install

These commands will build Open3DALIGN for a 64-bit CPU with SSE3 extensions and install the open3dalign executable binary into /build/bin and documentation into /build/share/doc/Open3DALIGN. You might have to tweak the path to the Intel Math Kernel includes, Intel Math Kernel libraries, libedit and libo3q according to the specific features of your installation.



Using the GNU C Compiler and ATLAS math libraries

If you wish to build Open3DALIGN using the GNU C Compiler, first you will need to install Open3DQSAR and its dependencies as described in detail here. Afterwards, you simply need to move to the folder where you have downloaded open3dalign-X.Y.tar.gz, where X and Y are the major and minor version numbers, and build open3dalign:

$ tar -xzf open3dalign-X.Y.tar.gz
$ cd open3dalign-X.Y
$ ./bootstrap
$ ./configure \
        CC=gcc45 \
        CFLAGS="-Wall -O3 -m64 -msse3 -I/build/include \
        -I/build/include" \
        LDFLAGS="-L/build/lib64 \
        --with-atlas \
        --prefix=/build

Clearly, the paths reported in the example above might vary slightly according to your specific installations details.

Subsequently, type

$ make
$ make install

to have the open3dalign executable binary installed in the /build/bin folder and the documentation in /build/share/doc/Open3DALIGN.