A crystallographic real-space electron-density refinement and optimization program.

(Portage version: 2.0.53)

6 files changed, 133 insertions, 0 deletions

diff --git a/sci-chemistry/eden/ChangeLog b/sci-chemistry/eden/ChangeLog
new file mode 100644
index 000000000000..fd169f9bb4c0
--- /dev/null
+++ b/sci-chemistry/eden/ChangeLog
@@ -0,0 +1,11 @@
+# ChangeLog for sci-chemistry/eden
+# Copyright 1999-2005 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/eden/ChangeLog,v 1.1 2005/12/16 06:46:21 spyderous Exp $
+
+*eden-5.3 (16 Dec 2005)
+
+  16 Dec 2005; Donnie Berkholz <spyderous@gentoo.org>;
+  +files/makefile-fixes.patch, +metadata.xml, +eden-5.3.ebuild:
+  A crystallographic real-space electron-density refinement and optimization
+  program.
+
diff --git a/sci-chemistry/eden/Manifest b/sci-chemistry/eden/Manifest
new file mode 100644
index 000000000000..fd583a2ae293
--- /dev/null
+++ b/sci-chemistry/eden/Manifest
@@ -0,0 +1,4 @@
+MD5 4f19b55b0e543be29f51d6797b73671f eden-5.3.ebuild 1617
+MD5 99f04eda8e71dce7c182ce9cde317874 files/digest-eden-5.3 62
+MD5 34cb076ea699bd80ad6d90040ed7446f files/digest-ortep3-1.0.3 52
+MD5 82372e25898d568e7439b62f685b94fb files/makefile-fixes.patch 837
diff --git a/sci-chemistry/eden/eden-5.3.ebuild b/sci-chemistry/eden/eden-5.3.ebuild
new file mode 100644
index 000000000000..70f673e0a0bd
--- /dev/null
+++ b/sci-chemistry/eden/eden-5.3.ebuild
@@ -0,0 +1,83 @@
+# Copyright 1999-2005 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/eden/eden-5.3.ebuild,v 1.1 2005/12/16 06:46:21 spyderous Exp $
+
+inherit eutils multilib toolchain-funcs
+
+MY_P="${PN}_V${PV}"
+DESCRIPTION="A crystallographic real-space electron-density refinement and optimization program"
+HOMEPAGE="http://www.edencrystallography.org/"
+SRC_URI="http://www.edencrystallography.org/${MY_P}.tar.gz"
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~x86"
+IUSE="double-precision"
+RDEPEND="=sci-libs/fftw-2*
+	sci-libs/gsl"
+DEPEND="${RDEPEND}"
+S="${WORKDIR}/${PN}"
+SRC="${S}/source"
+
+src_unpack() {
+	unpack ${A}
+
+	epatch ${FILESDIR}/makefile-fixes.patch
+
+	sed -i \
+		-e "s:^\(FFTW.*=\).*:\1 ${ROOT}usr:g" \
+		-e "s:^\(LIB.*=.*\$(FFTW)/\).*:\1$(get_libdir):g" \
+		-e "s:^\(BIN.*=\).*:\1 ${D}usr/bin:g" \
+		-e "s:^\(CFLAGS.*=\).*:\1 ${CFLAGS}:g" \
+		${SRC}/Makefile
+
+	if ! use double-precision; then
+		sed -i -e "s:^\(DOUBLESWITCH.*=\).*:\1 OFF:g" ${SRC}/Makefile
+		EXE="seden"
+	else
+		EXE="deden"
+	fi
+}
+
+src_compile() {
+	cd ${SRC}
+	emake CC=$(tc-getCC) || die "emake failed"
+}
+
+src_install() {
+	local EDENHOME="/usr/lib/eden"
+
+	cd ${SRC}
+	dodir /usr/bin
+	make install || die "install failed"
+
+	cd ${S}
+	dodir ${EDENHOME}/python
+	exeinto ${EDENHOME}/python
+	doexe python/*
+
+	dodir ${EDENHOME}/help
+	insinto ${EDENHOME}/help
+	doins help/*
+
+	dodir ${EDENHOME}/tools
+	insinto ${EDENHOME}/tools
+	doins tools/*
+
+	dodoc manual/UserManual.pdf
+
+cat << EOF > ${T}/eden
+#!/bin/bash
+export EDENHOME="${EDENHOME}"
+${EXE} \$*
+EOF
+
+	dobin ${T}/eden
+
+cat << EOF > ${T}/ieden
+#!/bin/bash
+export EDENHOME="${EDENHOME}"
+\${EDENHOME}/python/eden.py
+EOF
+
+	dobin ${T}/ieden
+}
diff --git a/sci-chemistry/eden/files/digest-eden-5.3 b/sci-chemistry/eden/files/digest-eden-5.3
new file mode 100644
index 000000000000..61b44f3762c3
--- /dev/null
+++ b/sci-chemistry/eden/files/digest-eden-5.3
@@ -0,0 +1 @@
+MD5 17f4908db1944d788bac44e59c8a5cb5 eden_V5.3.tar.gz 1139981
diff --git a/sci-chemistry/eden/files/makefile-fixes.patch b/sci-chemistry/eden/files/makefile-fixes.patch
new file mode 100644
index 000000000000..4cfff3f515df
--- /dev/null
+++ b/sci-chemistry/eden/files/makefile-fixes.patch
@@ -0,0 +1,25 @@
+diff -ur eden.orig/source/Makefile eden/source/Makefile
+--- eden.orig/source/Makefile	2004-10-18 10:40:03.000000000 -0700
++++ eden/source/Makefile	2005-12-15 22:32:45.000000000 -0800
+@@ -78,8 +78,10 @@
+ #CFLAGS		=   -Wall -pipe -marchi686 -pedantic  -gdwarf-2 -g3
+ #CFLAGS		=   -Wall -O3 -march=i686 
+ ifneq ($(FFTW),/usr/local)
++ifneq ($(FFTW),/usr)
+ CFLAGS		+= -I$(INC)
+ endif
++endif
+ 
+ #			NOTE:
+ # DOUBLESWITCH = ON	for double precision;
+@@ -129,8 +131,8 @@
+ 		mv fbyteswap $(BIN)
+ 		mv eden $(BIN)/$(TARGET)
+ 		chmod 751 $(BIN)/$(TARGET)
+-		chmod +x mkeden.csh
+-		./mkeden.csh $(BIN) $(BIN)/$(TARGET)
++#		chmod +x mkeden.csh
++#		./mkeden.csh $(BIN) $(BIN)/$(TARGET)
+ 
+ dist:		clean
+ 		cd ../..; tar -cvf eden_$(VERSION).tar --exclude CVS --exclude \#\*\# --exclude \*~ --exclude Misc --exclude .\* eden; gzip -f eden_$(VERSION).tar
diff --git a/sci-chemistry/eden/metadata.xml b/sci-chemistry/eden/metadata.xml
new file mode 100644
index 000000000000..211b8bd0f0a4
--- /dev/null
+++ b/sci-chemistry/eden/metadata.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci</herd>
+<maintainer>
+<email>spyderous@gentoo.org</email>
+<name>Donnie Berkholz</name>
+</maintainer>
+</pkgmetadata>