Automated crystallographic structure solution for MIR, SAD, and MAD

Package-Manager: portage-2.2_rc62/cvs/Linux x86_64

4 files changed, 92 insertions, 0 deletions

diff --git a/sci-chemistry/solve-resolve-bin/ChangeLog b/sci-chemistry/solve-resolve-bin/ChangeLog
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index 000000000000..199f8c023277
--- /dev/null
+++ b/sci-chemistry/solve-resolve-bin/ChangeLog
@@ -0,0 +1,10 @@
+# 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/Manifest b/sci-chemistry/solve-resolve-bin/Manifest
new file mode 100644
index 000000000000..6fe7e1303c7a
--- /dev/null
+++ b/sci-chemistry/solve-resolve-bin/Manifest
@@ -0,0 +1,15 @@
+-----BEGIN PGP SIGNED MESSAGE-----
+Hash: SHA1
+
+DIST solve-2.13-linux-64.tar.gz 74444830 RMD160 0da15aa19b37186479d72c6ce57f401aeb2a4344 SHA1 f0ef948ef1fddec2d80e2612553608fc1be676a3 SHA256 e03250bb550686fc6e5f59d4e885b83b88cd342dfb4975eb31ddf95d9515650e
+DIST solve-2.13-linux.tar.gz 71902534 RMD160 510e67345dd3517c479719c3ea93696f0210f508 SHA1 1acc33b5b6119ac82cf6bb4e0958ebbbc74c5d14 SHA256 975466fe92d8f6256de20ea0b5101876f3e5a7e3093199946c9f4824236c79d3
+EBUILD solve-resolve-bin-2.13.ebuild 1681 RMD160 f98c2da84739d16f1f9335652326ad99da152f53 SHA1 4dfad228a7d913c7386bf0502445f45239cf068d SHA256 5728799fa0d543b06083d94cf4f3f2a2117e3423afec20682f988c0665e52d51
+MISC ChangeLog 446 RMD160 1f8ae26809629a81844e7373fe3cb25ce8c94e5a SHA1 65fee221b3eab09a587fc5453f341af6ef570ec3 SHA256 de538b379a76875ce463077dcfa437d4cc29e512b0fccde28be42b95e9a0b5bc
+MISC metadata.xml 155 RMD160 3461e0e8be85b18f167d6c09bd46051d3d1407d1 SHA1 b61e02ab96757b21564fe0c9d1c6ac85f3f4b4ea SHA256 dcbfd8047666ea8f6051e15ba815e96cfb5c03dcea941c16a709a9cdf761dd39
+-----BEGIN PGP SIGNATURE-----
+Version: GnuPG v2.0.14 (GNU/Linux)
+
+iEYEARECAAYFAktopfcACgkQgAnW8HDreRbiPwCfbiK3OhbEJJi61vznGvqill7q
+AJoAn0Dg21auf18bJtXM+YR/gv0/ZSFx
+=ETEY
+-----END PGP SIGNATURE-----
diff --git a/sci-chemistry/solve-resolve-bin/metadata.xml b/sci-chemistry/solve-resolve-bin/metadata.xml
new file mode 100644
index 000000000000..d691b2482707
--- /dev/null
+++ b/sci-chemistry/solve-resolve-bin/metadata.xml
@@ -0,0 +1,7 @@
+<?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
new file mode 100644
index 000000000000..f84233650680
--- /dev/null
+++ b/sci-chemistry/solve-resolve-bin/solve-resolve-bin-2.13.ebuild
@@ -0,0 +1,60 @@
+# 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/"
+}