initial git repo for Tinker-FFE 8.5.3

Author: jayponder

.gitignore

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+build/buildtools/ant
+build/kits/Tinker-FFE*
+other/java/jdk*
+other/java/jre*
+other/java/linux*
+other/java/macos*
+other/java/windows*

0README

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+
+                     #####################################
+                     Distribution Directory for Tinker-FFE
+                     #####################################
+
+         This directory contains the full source distribution and build
+         environment for the Tinker-FFE (Force Field Explorer) package.
+         FFE is a Java-based molecular engineering and visualization tool
+         that provides a GUI interface to the Tinker programs.
+
+         The /source area has full source code for FFE itself, the FFTW
+         Fourier Transform package, the APBS Poisson-Boltzmann solver,
+         and Tinker. Compressed .tgz archive files for these packages
+         are used directly when building FFE.
+
+         The /other area contains code and libraries for many additional
+         pieces needed for FFE, such as bundled Java JREs, Java3D, ant,
+         groovy, Mesa and Sun JCE routines.
+
+         The /build directory has a build environment for constructing
+         FFE install kits for Linux, MacOS and Windows. Scripts provided
+         allowing building of FFE installers via the install4j program.
+         See /build/0README for the exact procedure for building full
+         Tinker-FFE installer kits.
+
+         The current directory has pieces to build Tinker-FFE, except
+         for the following: (1) a C/C++/Fortran compiler suite, the GNU
+         compilers are recommended, (2) a locally installed version of
+         Java 8, and (3) the install4j Java installer builder. Note
+         install4j is a commercial package. The full GUI version is not
+         needed, only a command line version of the install4jc compiler
+         is required.
+

build/0README

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+
+               ##################################################
+               Protocol for Building Tinker-FFE Installation Kits
+               ##################################################
+
+         In order to build a Tinker-FFE installation kit, perform each
+         step listed below. For steps 2 and 3, OSNAME should be replaced
+         with one of "linux", "macos" or "windows".
+ 
+         (1) Invoke "source build-setup.sh" or "source build-setup.csh"
+             for bash/sh or tcsh/csh shells, respectively.
+
+         (2) Next run "ant -f OSNAME.ant.xml >& build.log &". This will
+             copy and make Tinker, FFTW, APBS and FFE, then build the
+             FFE/Tinker installation packages.
+
+         (3) To build FFE only, assuming that Tinker, FFTW and APBS are
+             already compiled and present in the current directory, use
+             "ant -f OSNAME-ffe-only.ant.xml" in place of step 2.
+

build/build-setup.csh

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+setenv BLD $HOME/ffe/build
+setenv TLS $BLD/buildtools
+
+setenv ANT_HOME $TLS/ant
+setenv ANT_OPTS "-Xms512M -Xmx1G"
+setenv ANT_ARGS ""
+set path = ($ANT_HOME/bin . .. $path)

build/build-setup.sh

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+BLD="$HOME/ffe/build"
+export BLD
+TLS="$BLD/buildtools"
+export TLS
+
+ANT_HOME="$TLS/ant"
+export ANT_HOME
+ANT_OPTS="-Xms512M -Xmx1G"
+export ANT_OPTS
+ANT_ARGS=""
+export ANT_ARGS
+PATH="$ANT_HOME/bin:.:..:$PATH"
+export PATH

build/build.log

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+
+               ##################################################
+               Tools Needed to Build Tinker-FFE Installation Kits
+               ##################################################
+
+       Provided in this directory is an installation of Apache ant 1.9.6
+       used with the Install4j scripts that build Force Field Explorer.
+