Automated crystallographic structure solution for MIR, SAD, and MAD

(Portage version: 2.2_rc62/cvs/Linux x86_64)

3 files changed, 77 insertions, 0 deletions

diff --git a/sci-chemistry/solve-resolve-bin/ChangeLog b/sci-chemistry/solve-resolve-bin/ChangeLog
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+++ b/sci-chemistry/solve-resolve-bin/ChangeLog
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+# ChangeLog for sci-chemistry/solve-resolve-bin
+# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/solve-resolve-bin/ChangeLog,v 1.1 2010/02/02 22:23:45 jlec Exp $
+
+*solve-resolve-bin-2.13 (02 Feb 2010)
+
+  02 Feb 2010; Justin Lecher (jlec) <jlec@gentoo.org>
+  +solve-resolve-bin-2.13.ebuild, +metadata.xml:
+  Automated crystallographic structure solution for MIR, SAD, and MAD
+
diff --git a/sci-chemistry/solve-resolve-bin/metadata.xml b/sci-chemistry/solve-resolve-bin/metadata.xml
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+++ b/sci-chemistry/solve-resolve-bin/metadata.xml
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+<?xml version="1.0" encoding="UTF-8"?>
+<pkgmetadata>
+<herd>sci-chemistry</herd>
+<maintainer>
+  <email>jlec@gentoo.org</email>
+</maintainer>
+</pkgmetadata>
diff --git a/sci-chemistry/solve-resolve-bin/solve-resolve-bin-2.13.ebuild b/sci-chemistry/solve-resolve-bin/solve-resolve-bin-2.13.ebuild
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index 000000000000..f84233650680
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+++ b/sci-chemistry/solve-resolve-bin/solve-resolve-bin-2.13.ebuild
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+# Copyright 1999-2010 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/solve-resolve-bin/solve-resolve-bin-2.13.ebuild,v 1.1 2010/02/02 22:23:45 jlec Exp $
+
+EAPI="3"
+
+inherit eutils
+
+DESCRIPTION="Automated crystallographic structure solution for MIR, SAD, and MAD"
+HOMEPAGE="http://www.solve.lanl.gov/index.html"
+SRC_URI="x86? ( http://solve.lanl.gov/pub/solve/${PV}/solve-${PV}-linux.tar.gz )
+		 amd64? ( http://solve.lanl.gov/pub/solve/${PV}/solve-${PV}-linux-64.tar.gz )"
+
+SLOT="0"
+LICENSE="solve"
+KEYWORDS="-* ~x86 ~amd64"
+IUSE="examples"
+
+RDEPEND="sci-libs/ccp4-libs"
+DEPEND=""
+
+RESTRICT="mirror"
+S="${WORKDIR}"/solve-${PV}
+
+IN_PATH="/opt/solve-resolve/"
+
+src_install(){
+	exeinto ${IN_PATH}bin/
+	doexe bin/*
+
+	insinto ${IN_PATH}lib/
+	doins -r lib/{*sym,sym*,hist*,*dat,segments,patterns} || die
+
+	dohtml -r lib/html/* || die
+	sed -i 's:/usr/local/lib/solve/:${EPREFIX}/opt/solve-resolve/lib/:' \
+			lib/examples_solve/p9/solve*
+	if use examples; then
+		sed -i 's:/usr/local/lib/resolve/:${EPREFIX}/opt/solve-resolve/lib/:' \
+				lib/examples_resolve/{resolve.csh,prime_and_switch.csh}
+		insinto /usr/share/${PF}/
+		doins -r lib/examples_*solve || die
+	fi
+
+	cat >> "${T}"/20solve-resolve <<- EOF
+	CCP4_OPEN="UNKNOWN"
+	SYMOP="${EPREFIX}/usr/share/ccp4/data/symop.lib"
+	SYMINFO="${EPREFIX}/usr/share/ccp4/data/syminfo.lib"
+	SOLVEDIR="${EPREFIX}/${IN_PATH}lib/"
+	PATH="${EPREFIX}/${IN_PATH}bin"
+	EOF
+
+	doenvd "${T}"/20solve-resolve
+}
+
+pkg_postinst(){
+	einfo "Get a valid license key from"
+	einfo "http://solve.lanl.gov/license.html"
+	einfo "and place it in"
+	einfo "${EPREFIX}/${IN_PATH}lib/"
+}