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Diffstat (limited to 'sci-chemistry/tinker/tinker-5.1.01.ebuild')
-rw-r--r--sci-chemistry/tinker/tinker-5.1.01.ebuild54
1 files changed, 54 insertions, 0 deletions
diff --git a/sci-chemistry/tinker/tinker-5.1.01.ebuild b/sci-chemistry/tinker/tinker-5.1.01.ebuild
new file mode 100644
index 000000000000..afb0e38987c7
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+++ b/sci-chemistry/tinker/tinker-5.1.01.ebuild
@@ -0,0 +1,54 @@
+# 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-5.1.01.ebuild,v 1.1 2010/02/17 20:27:53 jlec Exp $
+
+EAPI="2"
+FORTRAN="gfortran ifc"
+
+inherit fortran
+
+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/tinker/downloads/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="Tinker"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+
+# RDEPEND="dev-java/j3d-core"
+RESTRICT="mirror"
+
+S="${WORKDIR}"/tinker/source
+
+src_compile() {
+ emake \
+ -f ../make/Makefile \
+ F77="${FORTRANC}" \
+ F77FLAGS=-c \
+ OPTFLAGS="${FFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ || die
+}
+
+src_install() {
+ dodoc \
+ "${WORKDIR}"/tinker/doc/{*.txt,announce/release-*,*.pdf,0README} || die
+
+ dolib.a libtinker.a || die
+
+ for EXE in *.x; do
+ newbin ${EXE} ${EXE%.x} || die
+ done
+
+ docinto example
+ dodoc "${WORKDIR}"/tinker/example/* || die
+
+ docinto test
+ dodoc "${WORKDIR}"/tinker/test/* || die
+
+ dobin "${WORKDIR}"/tinker/perl/mdavg || die
+
+ insinto /usr/share/tinker/params
+ doins "${WORKDIR}"/tinker/params/* || die
+}