# rcsid = $Id$

FAC is a software packge for the calculation of various atomic processes.

Contents of the package:

1. Third party content that cannot be distributed under GPL. 
   These directories are bundled in fac_util.tar.gz, 
   and are listed in the UtilList file.
blas/,       BLAS routines in fortran.
coul/,       fortran routines related to coulomb functions.
ionis/,      ionization balance calculation of Arnaud&Raymond, 
	     and that of Mazzotta et al. Rates fitted by Verner et al.
lapack/,     fortran routines from LAPACK.
minpack/,    minpack optimization package.
quadpack/,   some routines from quadpack for quadrature.
mpfun/,      it used to be the multi-precision floating point arithmetic 
             package by Beiley. Since v0.8.6, it was replaced by my own
	     implementation of quad-precision arithmetics. The associated
	     Legendre functions are also put into this directory.
ode/,	     Livermore Solver for odinary differential equations.
toms/,       some numerical routines from TOMS.

2. Everything below are distributed under GPL.
   These files are bundled in fac_core.tar.gz
README,      this file.
ChangeLog,   changes.
configure.ac,AutoConf input file
configure,   configure script after parsing configure.ac
setup.py,    python setup script for building the pfac interface
demo/,       some demo scripts.
doc/,        reference guide for FAC
doc/papers/, papers describe the theoretical backgrounds.
faclib/,     core numerical library.
python/,     python interface.
sfac/,       non-python interface.


INSTALL:
There are two interfaces available to the FAC numerical lib. One makes use
of the Python scripting language, implemented as a package "pfac".
The other interface uses a simple command parser, compiled into executables. 
The two interfaces are independent. Either one or both can be installed. 
One can either install from precompiled binaries or from source files.

INSTALL FROM BINARY PACKAGES:
Download appropriate binary packages. The PFAC interface is named as
FAC-version.platform.tar.gz, where version is the FAC version number
and platform is the computer platform the binary was compiled for. 
Unpacking the file at some direcoty /my/own/dir will create the python package
as if python setup.py install --prefix=/my/own/dir is used. PYTHONPATH must 
be set appropriately in order to use the python modeuls (see later on 
installing from source).

The SFAC interface is named as SFAC-version.platform.tar.gz. This simply 
contains the 3 executables under the directory bin/, sfac, scrm, and spol. 
Unpack it in a directory and add bin to your PATH.

INSTALL FROM SOURCE:
STEPS:
0) download the two source packages, fac_util.tar.gz and fac_core.tar.gz, 
   and gunzip, extract under the same directory.

1) ./configure
Note 1: Specify the option --with-cfortran=xxFortran, if you F77 compiler 
        is not g77 or sun's f77. see faclib/cfortran.doc for supported F77 
	compilers.
Note 2: If your C compiler is not gcc, then you need to supply the PIC
	(position independent code) option with --enable-cpic=***
	If your F77 compiler is not g77, then you need to supply the PIC
	option with --enable-fpic=***
	Supply the optimization option for C and F77 compilers with
	--enable-copt=*** and --enable-fopt=*** respectively if desired.
Note 3: specify --prefix=my/dir, if the default /usr/local is not what you 
	want. This dir only affects the installation of SFAC executables.
Note 4: some of the functions have a parallel version using MPI. You can build 
        with MPI enabled using the option --with-mpi=***, where *** is the MPI
	implementation installed on your machine. It has been tested with lammpi.
	If a different version of MPI is used, you have to supply the compile and
	link flags to the C compiler with --with-mpicompile and --with-mpilink.

2) make; make install
This installs the SFAC interface.

3) If you have Python 2.0 or later installed, then:
   make pfac
   make install-pfac
This installs the PFAC interface into Python's default site-package dir. If
this is not what you want, or you don't have the permision. then, instead of
running "make install-pfac", try:

   python setup.py install --prefix=/my/own/dir

In order for python to find the installed "pfac" modules, one would have to 
define an environment variable PYTHONPATH to point to the directory 
"/my/own/dir/lib/python#.#/site-packages", where "#.#" is the Python version.
In csh, this requires 

    setenv PYTHONPATH /my/own/dir/lib/python#.#/site-packages 

or in bash, 

    PYTHONPATH=/my/own/dir/lib/python#.#/site-packages;export PYTHONPATH

Alternatively, one may do:

   python setup.py install --home=/my/own/dir

in this case, PYTHONPATH should be set to "/my/own/dir/lib/python. There
are some other ways to specify where you want the python modules go. Check
the python distutil documentation for details.

4) A binary distribution can be made by
   python setup bdist -bsfac
it will create two gzipped tar file under dist/ directory. Unpack the PFAC and 
SFAC files under appropriate directories will install both sfac and pfac binary 
files. Check the contents of PFAC and SFAC tar file first to determine the 
directories under which they must be unpacked.

Usage:
The modules can be called just like any python modules, either from the
interpreter interactively, or pass the script to python. 
e.g., python fe24_level.py.

The non-python interface produces 3 executables, "sfac", "scrm" and 
"spol", accepting input files as arguments. The syntax of the input file 
for both programs is identical, and is very similar to the Python syntax,
except for the missing of flow constrols.

For more details, please read the manual, and be sure to read the FAQ 
section of the manual. 

Contact:
Bugs, and suggestions, please report to:
	[email protected]
	Ming Feng Gu.
	Space Science Laboratory
	University of California Berkeley