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Diffstat (limited to 'sci-chemistry/tinker/tinker-4.2.ebuild')
-rw-r--r-- | sci-chemistry/tinker/tinker-4.2.ebuild | 132 |
1 files changed, 0 insertions, 132 deletions
diff --git a/sci-chemistry/tinker/tinker-4.2.ebuild b/sci-chemistry/tinker/tinker-4.2.ebuild deleted file mode 100644 index b77f61ecd7f1..000000000000 --- a/sci-chemistry/tinker/tinker-4.2.ebuild +++ /dev/null @@ -1,132 +0,0 @@ -# Copyright 1999-2006 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/tinker-4.2.ebuild,v 1.3 2006/06/21 06:55:41 spyderous Exp $ - -inherit fortran toolchain-funcs - -FORTRAN="g77 gfortran ifc" - -DESCRIPTION="TINKER is a molecular modeling package that 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" -IUSE="X" -LICENSE="Tinker" -SLOT="0" -KEYWORDS="~x86" - -DEPEND="X? ( - || ( dev-java/blackdown-java3d-bin - dev-java/sun-java3d-bin ) - )" -S="${WORKDIR}/tinker/source" - -src_compile() { - if use X; then - COMPGUI="./compgui.make" - LINK="./linkgui.make" - if use ppc-macos; then - cp ../jar/macosx/sockets.c . - else - cp ../jar/linux/sockets.c . - fi - else - LINK="./link.make" - fi - - COMPILE="./compile.make" - LIBRARY="./library.make" - - # Need to make sure all of the appropriate config files are in place - # for the build. - # This should be easily customizable for other Fortran compilers, e.g. pg77. - if use ppc-macos; then - cp ../apple/gnu/* . - elif [ "${FORTRANC}" = "ifc" ]; then - cp ../linux/intel/* . - else - cp ../linux/gnu/* . - fi - - cp ../make/* . - - # Prep build scripts - if use X; then - sed -i \ - -e "s:-O3:${CFLAGS}:" \ - -e "s:gcc:$(tc-getCC):" \ - ${COMPGUI} - local JAVA_HOME=$(java-config --jdk-home) - local JAVA_LIB_PATH="${JAVA_HOME}/jre/lib/i386/client" - ln -s ${JAVA_LIB_PATH}/libjvm.so - sed -i -e "s:/local/java/j2sdk1.4.2_05:${JAVA_HOME}:g" ${COMPGUI} - sed -i -e "s:g77:${FORTRANC}:g" ${LINK} - fi - # Default to -O2 if FFLAGS is unset - sed -i -e "s:-O3 -ffast-math:${FFLAGS:- -O2}:" ${COMPILE} - sed -i -e "s:g77:${FORTRANC}:g" ${COMPILE} - - # Prep executable script - the one packaged with the distro is b0rked - if use X; then - echo 'java -jar /usr/lib/tinker/ffe.jar -Djava.library.path=$(java-config -i blackdown-java3d-bin) -cp $(java-config -p blackdown-java3d-bin)' > tinker - fi - - einfo "Compiling ..." - if use X; then - ${COMPGUI} || die "GUI compile failed" - fi - ${COMPILE} || die "compile failed" - einfo "Building libraries ..." - ${LIBRARY} || die "library creation failed" - einfo "Linking ..." - ${LINK} || die "link failed" -} - -src_install() { - exeinto /usr/bin - - dodoc \ - ${WORKDIR}/tinker/doc/*.txt \ - ${WORKDIR}/tinker/doc/release-4.2 \ - ${WORKDIR}/tinker/doc/*.pdf - - if use X; then - if use ppc-macos; then - dolib.so ${WORKDIR}/tinker/jar/macosx/libffe.jnilib - else - dolib.so ${WORKDIR}/tinker/jar/linux/libffe.so - fi - fi - - dolib.a libtinker.a - - insinto /usr/lib/tinker - if use X; then - doins ${WORKDIR}/tinker/jar/ffe.jar - fi - - for EXE in *.x; do - newexe ${EXE} ${EXE%.x} - done - - if use X; then - doexe tinker - fi - - docinto example - dodoc ${WORKDIR}/tinker/example/* - docinto test - dodoc ${WORKDIR}/tinker/test/* - - doexe ${WORKDIR}/tinker/perl/mdavg - - insinto /usr/share/tinker/params - doins ${WORKDIR}/tinker/params/* -} - -pkg_postinst() { - einfo "Tinker binaries installed to ${ROOT}usr/bin." - einfo "Parameter files installed to ${ROOT}usr/share/tinker/params." - einfo "Call the Java X front-end, Force-Field Explorer, with 'tinker.'" - einfo "It doesn't seem to detect installed Java3D yet, fixes welcome." - einfo "You must edit ${ROOT}usr/bin/tinker if you aren't using Blackdown." -} |