# Copyright 1999-2003 Gentoo Technologies, Inc.
# Distributed under the terms of the GNU General Public License v2
# $Header: /home/cvsroot/gentoo-x86/app-sci/tinker/tinker-4.1.ebuild,v 1.0 2003/12/15 20:07:14 Cheesefoam Exp $

DESCRIPTION="TINKER is a molecular modeling package which includes force fields for handing large molecules and large systems, such as AMBER and CHARMM.  A Java based visualization front end is included."
HOMEPAGE="http://dasher.wustl.edu/tinker/"
SRC_URI="ftp://dasher.wustl.edu/pub/tinker.tar.gz"

LICENSE="Tinker"
SLOT="0"
KEYWORDS="x86"

DEPEND="dev-java/java3d"
S="${WORKDIR}/tinker/source"

src_compile() {
	#Need to make sure all of the appropriate config files are in place for the build.
	cp ../linux/gnu/* .
	cp ../make/* .
	cd ${S}

	#Prep Makefile
	sed -e "s:TINKERDIR = /user/ponder/tinker:TINKERDIR = ${D}usr/local/bin/tinker:" Makefile > makefile.temp.1
	sed -e "s:LINKDIR = /usr/local/bin:LINKDIR = ${D}usr/bin:" makefile.temp.1 > makefile.temp.2
	sed -e "s:F77 = /usr/intel/compiler70/ia32/bin/ifc:F77 = g77:" makefile.temp.2 > makefile.temp.1
	sed -e "s:OPTFLAGS = -O2 -cm -w:OPTFLAGS = ${CFLAGS}:" makefile.temp.1 > makefile.temp.2
	sed -e "s:\$(BINDIR)/::" makefile.temp.2 > makefile.temp.1
	sed -e "s:-Vaxlib::" makefile.temp.1 > Makefile

	#Prep executable script - the one packaged with the distro is b0rked
	echo 'java -jar /usr/local/tinker/ffe.jar' > tinker

	#Make env file & build
	echo 'PATH="/usr/local/tinker/bin"' > 99tinker
	emake ||die
}

src_install() {
	dodoc ${WORKDIR}/tinker/doc/*.txt ${WORKDIR}/tinker/doc/release-4.1 \
		${WORKDIR}/tinker/doc/*.pdf
	into /usr
	dolib.so ${WORKDIR}/tinker/ffe/libffe.so
	dolib.a libtinker.a
	insinto /usr/local/tinker
	doins ${WORKDIR}/tinker/ffe/ffe.jar
	exeinto /usr/local/tinker/bin
	newexe  alchemy.x    alchemy
        newexe  analyze.x    analyze
        newexe  anneal.x     anneal
        newexe  archive.x    archive
        newexe  correlate.x  correlate
        newexe  crystal.x    crystal
        newexe  diffuse.x    diffuse
        newexe  distgeom.x   distgeom
        newexe  document.x   document
        newexe  dynamic.x    dynamic
        newexe  gda.x        gda
        newexe  intedit.x    intedit
        newexe  intxyz.x     intxyz
        newexe  minimize.x   minimize
        newexe  minirot.x    minirot
        newexe  minrigid.x   minrigid
        newexe  monte.x      monte
        newexe  newton.x     newton
        newexe  newtrot.x    newtrot
        newexe  nucleic.x    nucleic
        newexe  optimize.x   optimize
        newexe  optirot.x    optirot
        newexe  optrigid.x   optrigid
        newexe  path.x       path
        newexe  pdbxyz.x     pdbxyz
        newexe  polarize.x   polarize
        newexe  protein.x    protein
        newexe  pss.x        pss
        newexe  pssrigid.x   pssrigid
        newexe  pssrot.x     pssrot
        newexe  radial.x     radial
        newexe  saddle.x     saddle
        newexe  scan.x       scan
        newexe  sniffer.x    sniffer
        newexe  spacefill.x  spacefill
        newexe  spectrum.x   spectrum
        newexe  superpose.x  superpose
        newexe  sybylxyz.x   sybylxyz
	newexe  testgrad.x   testgrad
        newexe  testhess.x   testhess
        newexe  testlight.x  testlight
        newexe  testrot.x    testrot
        newexe  timer.x      timer
        newexe  timerot.x    timerot
        newexe  vibrate.x    vibrate
        newexe  vibrot.x     vibrot
        newexe  xtalfit.x    xtalfit
        newexe  xtalmin.x    xtalmin
        newexe  xyzedit.x    xyzedit
        newexe  xyzint.x     xyzint
        newexe  xyzpdb.x     xyzpdb
        newexe  xyzsybyl.x   xyzsybyl
	exeinto /usr/bin
	doexe tinker
	insinto /usr/local/tinker/example
	doins ${WORKDIR}/tinker/example/*
	exeinto /usr/local/tinker/example
	doexe ${WORKDIR}/tinker/example/*.run
	exeinto /usr/local/tinker/bin
	doexe ${WORKDIR}/tinker/perl/mdavg
	insinto /usr/local/tinker/test
	doins ${WORKDIR}/tinker/test/*
	insinto /usr/local/tinker/params
	doins ${WORKDIR}/tinker/params/*
	insinto /etc/env.d
	doins 99tinker
}