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Diffstat (limited to 'sci-chemistry/tinker/tinker-5.1.08.ebuild')
-rw-r--r-- | sci-chemistry/tinker/tinker-5.1.08.ebuild | 76 |
1 files changed, 76 insertions, 0 deletions
diff --git a/sci-chemistry/tinker/tinker-5.1.08.ebuild b/sci-chemistry/tinker/tinker-5.1.08.ebuild new file mode 100644 index 000000000000..b93bc4dcab6d --- /dev/null +++ b/sci-chemistry/tinker/tinker-5.1.08.ebuild @@ -0,0 +1,76 @@ +# Copyright 1999-2010 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/tinker-5.1.08.ebuild,v 1.1 2010/06/16 11:52:09 jlec Exp $ + +EAPI="2" +FORTRAN="gfortran ifc" + +inherit fortran java-pkg-opt-2 toolchain-funcs + +DESCRIPTION="Molecular modeling package that includes force fields, such as AMBER and CHARMM." +HOMEPAGE="http://dasher.wustl.edu/tinker/" +SRC_URI="http://dasher.wustl.edu/${PN}/downloads/${P}.tar.gz" + +SLOT="0" +LICENSE="Tinker" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="examples" + +# RDEPEND="dev-java/j3d-core" +DEPEND=">=virtual/jdk-1.6" +RDEPEND=" + !dev-util/diffuse + >=virtual/jre-1.6" +RESTRICT="mirror" + +S="${WORKDIR}"/tinker/source + +pkg_setup() { + fortran_pkg_setup + java-pkg-opt-2_pkg_setup +} +src_compile() { + local javalib= + for i in $(java-config -g LDPATH | sed 's|:| |g'); do + [[ -f ${i}/libjvm.so ]] && javalib=${i} + done + emake \ + -f ../make/Makefile \ + F77="${FORTRANC}" \ + CC="$(tc-getCC) -c" \ + F77FLAGS=-c \ + OPTFLAGS="${FFLAGS}" \ + LINKFLAGS="${LDFLAGS} -Wl,-rpath ${javalib}" \ + INCLUDEDIR="$(java-pkg_get-jni-cflags) -I${EPREFIX}/usr/include" \ + LIBS="$(pkg-config --libs apbs) -lmaloc -L${javalib} -ljvm" \ + || die + mkdir "${S}"/../bin || die + emake \ + -f ../make/Makefile \ + BINDIR="${S}"/../bin \ + rename || die +} +src_test() { + cd "${WORKDIR}"/tinker/test/ + for test in *.run; do + einfo "Testing ${test} ..." + bash ${test} || die + done +} + +src_install() { + dobin "${WORKDIR}"/${PN}/perl/mdavg "${WORKDIR}"/${PN}/bin/* || die + + insinto /usr/share/${PN}/ + doins -r "${WORKDIR}"/${PN}/params || die + + dodoc \ + "${WORKDIR}"/${PN}/doc/{*.txt,announce/release-*,*.pdf,0README} || die + if use examples; then + insinto /usr/share/${P} + doins -r "${WORKDIR}"/${PN}/example || die + + doins -r "${WORKDIR}"/${PN}/test || die + fi + +} |