--Opium-- Pseudopotential generation project

Opium is available as a statically compiled binary for both Linux/x86 and MacOSX platforms. If you want to use a platform other than this, then you will have to compile the package from the source following the next section.

Compiling Opium from source

Directly use on MacOSX platforms
Untarring the package
Configure
Make

Use it directly on MacOSX platforms

On MacOSx machines, users are able to run the executable directly without any compilations. Untarring the package and run "gopium" as regular "opium" command line.

Untarring the Opium package

During the first step the source tree need to be extracted from the downloaded tarball. Since the untar command will put the source tree into a directory with the same name as the tarball you do not need to create any special directory. Simply type tar xzvf opium-version.tgz to extract the source tree. If your tar command does not understand the 'z' flag you need to first 'gunzip' and then 'untar'. In either case a opium-version sub-directory will be created relative to where you executed the untar command.

Configure

Once the source tree has been extracted the makefiles must be configured. Change into the opium-version sub-directory that was generated during the 'untar' process. This is where the configure command needs to be executed. In general, typing ./configure will create a set of makefiles that are sufficient for your platform.
Note: Opium requires both a C and Fortran compiler to build. Currently, Opium does not work with g77. Intel's Fortran and C compilers are both free and can compile Opium. Another alternative is f2c and fort77. Both are available as rpm's from rpmfind .
To take advantage of the graphical features of Opium, the plotting program Grace must also be installed. Grace can be downloaded from its homepage and rpm's are also available via rpmfind .
Running configure with the following command line arguments will result in customized compiler options:

argument meaning examples

--help display configure help

CC= C compiler CC=gcc

CFLAGS= C compiler flags CFLAGS=-O0, CFLAGS='-g -O2'

F77= Fortran compiler F77=pgf77, F77=f77

FFLAGS= Fortran compiler flags FFLAGS='-r8 -O3', FFLAGS=-O0

--with-f2c= Prefix for location of f2c and fort77 files --with-f2c=/usr/local

--with-f2c-libraries= Location of libf2c --with-f2c-libaries=/usr/local/lib

--with-f2c-includes= Location of f2c.h --with-f2c-includes=/usr/includes

Make

Once configure has been run, typing make will compile the complete package.

Tested platforms

Opium has been compiled successfully on the following platforms:

system C compiler Fortran compiler

PC Linux P4 gcc pgf77

PC Linux P4 icc ifc/ifort

PC Linux P4 gcc fort77

MacOS X gcc fort77

Alpha Linux ccc fort

MacLinux gcc fort77

SGI cc f77

Sun cc f77

Validation tests

Output files for many the platforms mentioned above are included in the package in the $OPIUM/tests directory. Also, the input and output files for the tests as well as the results for many platforms can be downloaded separately from the sourceforge site.

Other platforms

In principle OPIUM should compile on any POSIX platform. However, some modifications might be necessary during configure. We'd appreciate any feedback about the make process of OPIUM on systems not described on this page.

Setting up the PATH

In order to use the opium executable it must be on the PATH. That means you need to make sure that you either copy the opium executable that was generated during the MAKE process to a location that is already on your path or you need to extend your PATH variable. If you have root access to your system and you would like to make opium available to all of the users of the system we recommend that you copy the opium executable to /usr/local/bin and set the correct permissions.

Last updated: Apr 10, 2018