git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6727 f3b2605a-c512-4ea7-a41b-209d697bcdaa

lib/README

@@ -1,23 +1,25 @@
 This directory contains libraries that can be linked with when
-building LAMMPS.  The library itself must be built first, so that a
+building LAMMPS, if particular packages are included in a LAMMPS
-lib*.a file exists for LAMMPS to link against.
+build.  The library itself must be built first, so that a lib*.a file
+exists for LAMMPS to link against.
 
-Each library directory contains a README with additional info.  You
+Each library directory contains a README with additional info about
-will need to copy one of the Makefile.* files to Makefile before
+how to build the library.  This may require you to edit one of the
-building a library.  If a Makefile.* suitable for your machine does
+provided Makefiles to make it suitable for your machine.
-not exist, you will need to edit one of the existing Makefiles.
 
 The libraries included in the LAMMPS distribution are the following:
 
-atc           atomistic-to-continuum methods
+atc           atomistic-to-continuum methods, USER-ATC package
                 from Reese Jones, Jeremy Templeton, Jon Zimmerman (Sandia)
-awpmd         antisymmetrized wave packet molecular dynamics
+awpmd         antisymmetrized wave packet molecular dynamics, AWPMD package
                 from Ilya Valuev (JIHT RAS)
-gpu	      graphical processor (GPU) routines, currently NVIDIA specific
+cuda	      NVIDIA GPU routines, USER_CUDA package
-	        from Mike Brown (Sandia)
+                from Christian Trott (U Tech Ilmenau)
-poems	      POEMS rigid-body integration package
+gpu	      graphical processor (GPU) routines, GPU package
-                from RPI
+	        from Mike Brown (ORNL)
-meam	      modified embedded atom method (MEAM) potential
+poems	      POEMS rigid-body integration package, POEMS package
+                from Rudranarayan Mukherjee (RPI)
+meam	      modified embedded atom method (MEAM) potential, MEAM package
                 from Greg Wagner (Sandia)
-reax          ReaxFF potential
+reax          ReaxFF potential, REAX package
 	        from Adri van Duin (Penn State) and Aidan Thompson (Sandia)

lib/atc/README

@@ -1,3 +1,27 @@
+This directory has source files to build a library that LAMMPS
+links against when using the USER-ATC package.
+
+When you are done building this library, two files should
+exist in this directory:
+
+libatc.a		the library LAMMPS will link against
+Makefile.lammps		settings the LAMMPS Makefile will import
+
+The latter file will have settings like this (can be omitted if blank):
+
+user-atc_SYSINC =
+user-atc_SYSLIB = -lblas -llapack
+user-atc_SYSPATH =
+
+SYSINC is for settings needed to compile LAMMPS source files
+SYSLIB is for additional system libraries needed by this package
+SYSPATH is the path(s) to where those libraries are
+
+You must insure these settings are correct for your system, else
+the LAMMPS build will likely fail.
+
+-------------------------------------------------------------------------
+
 ATC (Atom To Continuum methods)
 
 Reese Jones, Jeremy Templeton, Jonathan Zimmerman (Sandia National Labs)

lib/awpmd/README

@@ -1,3 +1,27 @@
+This directory has source files to build a library that LAMMPS
+links against when using the AWPMD package.
+
+When you are done building this library, two files should
+exist in this directory:
+
+libawpmd.a		the library LAMMPS will link against
+Makefile.lammps		settings the LAMMPS Makefile will import
+
+The latter file will have settings like this (can be omitted if blank):
+
+user-awpmd_SYSINC =
+user-awpmd_SYSLIB = -lblas -llapack
+user-awpmd_SYSPATH =
+
+SYSINC is for settings needed to compile LAMMPS source files
+SYSLIB is for additional system libraries needed by this package
+SYSPATH is the path(s) to where those libraries are
+
+You must insure these settings are correct for your system, else
+the LAMMPS build will likely fail.
+
+-------------------------------------------------------------------------
+
 AWPMD (Antisymmetrized Wave Packet Molecular Dynamics) library
 
 Ilya Valuev, Igor Morozov, JIHT RAS

lib/gpu/README

@@ -1,22 +1,33 @@
-/* ----------------------------------------------------------------------
+This directory has source files to build a library that LAMMPS
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+links against when using the GPU package.
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
 
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+When you are done building this library, two files should
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+exist in this directory:
-   certain rights in this software.  This software is distributed under 
-   the GNU General Public License.
 
-   See the README file in the top-level LAMMPS directory.
+libgpu.a		the library LAMMPS will link against
-------------------------------------------------------------------------- */
+Makefile.lammps		settings the LAMMPS Makefile will import
 
-/* ----------------------------------------------------------------------
+The latter file will have settings like this (can be omitted if blank):
-   Contributing authors: Mike Brown (ORNL), brownw@ornl.gov
+
-                         Peng Wang (Nvidia), penwang@nvidia.com
+gpu_SYSINC =
-                         Inderaj Bains (NVIDIA), ibains@nvidia.com
+gpu_SYSLIB = -lcudart -lcuda
-                         Paul Crozier (SNL), pscrozi@sandia.gov
+gpu_SYSPATH = -L/usr/local/cuda/lib64
-------------------------------------------------------------------------- */
+
+SYSINC is for settings needed to compile LAMMPS source files
+SYSLIB is for additional system libraries needed by this package
+SYSPATH is the path(s) to where those libraries are
+
+You must insure these settings are correct for your system, else
+the LAMMPS build will likely fail.
+
+-------------------------------------------------------------------------
+
+Contributing authors: Mike Brown (ORNL), brownw@ornl.gov
+                      Peng Wang (Nvidia), penwang@nvidia.com
+                      Inderaj Bains (NVIDIA), ibains@nvidia.com
+                      Paul Crozier (SNL), pscrozi@sandia.gov
+
+-------------------------------------------------------------------------
 
                           GENERAL NOTES
                           

lib/meam/README

@@ -1,10 +1,38 @@
+This directory has source files to build a library that LAMMPS
+links against when using the MEAM package.
+
+When you are done building this library, two files should
+exist in this directory:
+
+libmeam.a		the library LAMMPS will link against
+Makefile.lammps		settings the LAMMPS Makefile will import
+
+The latter file will have settings like this (can be omitted if blank):
+
+meam_SYSINC =
+meam_SYSLIB = -lgfortran
+meam_SYSPATH =
+
+SYSINC is for settings needed to compile LAMMPS source files
+SYSLIB is for additional system libraries needed by this package
+SYSPATH is the path(s) to where those libraries are
+
+You must insure these settings are correct for your system, else
+the LAMMPS build will likely fail.
+
+Note that the source files for this library are Fortran.  LAMMPS is
+built with a C++ compiler/linker.  Thus you need to insure the
+settings above enable usage of a Fortran library by a C++ program.
+
+-------------------------------------------------------------------------
+
 MEAM (modified embedded atom method) library
 
 Greg Wagner, Sandia National Labs
 gjwagne at sandia.gov
 Jan 2007
 
---------------
+-------------------------------------------------------------------------
 
 This library is in implementation of the MEAM potential, specifically
 designed to work with LAMMPS.

lib/poems/README

@@ -1,3 +1,27 @@
+This directory has source files to build a library that LAMMPS
+links against when using the POEMS package.
+
+When you are done building this library, two files should
+exist in this directory:
+
+libpoems.a		the library LAMMPS will link against
+Makefile.lammps		settings the LAMMPS Makefile will import
+
+The latter file will have settings like this (can be omitted if blank):
+
+poems_SYSINC =
+poems_SYSLIB =
+poems_SYSPATH =
+
+SYSINC is for settings needed to compile LAMMPS source files
+SYSLIB is for additional system libraries needed by this package
+SYSPATH is the path(s) to where those libraries are
+
+You must insure these settings are correct for your system, else
+the LAMMPS build will likely fail.
+
+-------------------------------------------------------------------------
+
 POEMS (Parallelizable Open source Efficient Multibody Software) library
 
 Rudranarayan Mukherjee, RPI

lib/reax/README

@@ -1,3 +1,31 @@
+This directory has source files to build a library that LAMMPS
+links against when using the REAX package.
+
+When you are done building this library, two files should
+exist in this directory:
+
+libreax.a		the library LAMMPS will link against
+Makefile.lammps		settings the LAMMPS Makefile will import
+
+The latter file will have settings like this (can be omitted if blank):
+
+reax_SYSINC =
+reax_SYSLIB = -lgfortran
+reax_SYSPATH =
+
+SYSINC is for settings needed to compile LAMMPS source files
+SYSLIB is for additional system libraries needed by this package
+SYSPATH is the path(s) to where those libraries are
+
+You must insure these settings are correct for your system, else
+the LAMMPS build will likely fail.
+
+Note that the source files for this library are Fortran.  LAMMPS is
+built with a C++ compiler/linker.  Thus you need to insure the
+settings above enable usage of a Fortran library by a C++ program.
+
+-------------------------------------------------------------------------
+
 ReaxFF library
 
 Aidan Thompson, Sandia National Labs