Solaris x86



Under Solaris, due to the free availability and to the excellent performance of Oracle Solaris Studio Compilers and Sun Performance Library, we did not attempt to build Open3DQSAR with other tools, even if it is obviously possible to use GCC in conjunction with the ATLAS math libraries just as described for Windows and Linux.


Using Oracle Solaris Studio Compilers and the Sun Performance Library

Oracle Solaris Studio Compilers for Solaris 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 Open3DQSAR. After installing Oracle Solaris Studio compilers (as of now the latest version is Oracle Solaris Studio 12 Update 3), the first step is building the CBLAS layer to call BLAS function from C code. To accomplish this task, download the latest cblas.tgz and untar it, then cd into the newly created CBLAS directory, copy Makefile.SUN4 to Makefile.in and edit the latter file:

$ gunzip cblas.tgz | tar xf -
$ cd CBLAS
$ cp Makefile.SUN4 Makefile.in
$ vi Makefile.in


A sample Makefile.in is reported below:

#
#Makefile.SUN4
#
#
# If you compile, change the name to Makefile.in.
#
#
 
#-----------------------------------------------------------------------------
# Shell
#-----------------------------------------------------------------------------

SHELL = /bin/sh

#-----------------------------------------------------------------------------
# Platform
#-----------------------------------------------------------------------------

PLAT = 64

#-----------------------------------------------------------------------------
# Libraries and includes
#-----------------------------------------------------------------------------

BLLIB = libblas.a
CBDIR = /path/to/CBLAS
CBLIBDIR = $(CBDIR)/lib$(PLAT)
CBLIB = $(CBLIBDIR)/libcblas.a

#-----------------------------------------------------------------------------
# Compilers
#-----------------------------------------------------------------------------

CC = /opt/oracle/solstudio12.3/bin/suncc
FC = /opt/oracle/solstudio12.3/bin/sunf90
LOADER = $(FC)

#-----------------------------------------------------------------------------
# Flags for Compilers
#-----------------------------------------------------------------------------

CFLAGS = -m64 -O3 -DADD_
FFLAGS = -m64 -O3

#-----------------------------------------------------------------------------
# Archive programs and flags
#-----------------------------------------------------------------------------

ARCH = ar
ARCHFLAGS = r
RANLIB = ranlib



Subsequently, type:

$ make clean
$ make alllib


to build libcblas.a.

Open3DQSAR depends on the libedit library for advanced command line editing functionalities; the latter is included in the Open3DQSAR distribution.
Move to the folder where you have downloaded open3dqsar-X.Y.tar.bz2, where X and Y are the major and minor version numbers, and type:

$ bunzip2 -c open3dqsar-X.Y.tar.bz2 | tar xf -
$ cd open3dqsar-X.Y/libedit-YYYYMMDD-3.0
$ ./configure CC=suncc CFLAGS="-O2 -m64" \
        --prefix=/build --libdir=/build/lib64
$ make
$ make install


Then move up one folder and build open3dqsar:

$ cd ..
$ ./bootstrap
$ ./configure CC=suncc \
        CFLAGS="-O3 -fast -m64 -I/build/include" \
        LDFLAGS="-L/build/lib64" \
       --with-sunperf \
        --prefix=/build --libdir=/build/lib64
$ make
$ make install


These commands will build Open3DQSAR for a 64-bit CPU and install the open3dqsar executable binary into /build/bin and documentation into /build/share/doc/Open3DQSAR.

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Last update:
May 31. 2015 20:39:42

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