10 files changed, 349 insertions, 0 deletions
diff --git a/sci-chemistry/molden/ChangeLog b/sci-chemistry/molden/ChangeLog
new file mode 100644
index 000000000000..e9dd1bf3c85b
--- /dev/null
+++ b/sci-chemistry/molden/ChangeLog
@@ -0,0 +1,73 @@
+# ChangeLog for app-sci/molden
+# Copyright 2000-2004 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/ChangeLog,v 1.1 2004/12/24 16:46:10 ribosome Exp $
+
+*molden-3.9 (24 Dec 2004)
+
+  24 Dec 2004; Olivier Fisette <ribosome@gentoo.org> +metadata.xml,
+  +files/molden-3.9-fixMakefile.patch, +molden-3.9.ebuild, +molden-4.0.ebuild,
+  +molden-4.1.ebuild:
+  Moved from app-sci/molden to sci-chemistry/molden.
+
+  23 Dec 2004; Donnie Berkholz <spyderous@gentoo.org>; molden-4.1.ebuild:
+  x86.
+
+  20 Nov 2004; Danny van Dyk <kugelfang@gentoo.org> molden-4.1.ebuild:
+  Marked ~amd64.
+
+  26 Oct 2004; Donnie Berkholz <spyderous@gentoo.org>; molden-3.9.ebuild,
+  molden-4.0.ebuild, molden-4.1.ebuild:
+  Move eclasses from gcc to toolchain-funcs. Get rid of ${CC} use (#68990).
+
+  28 Jul 2004; Donnie Berkholz <spyderous@gentoo.org>; molden-3.9.ebuild,
+  molden-4.0.ebuild, molden-4.1.ebuild:
+  Search for a fortran compiler, since gcc doesn't compile one by default
+  anymore (#58628).
+
+  27 Jul 2004; Donnie Berkholz <spyderous@gentoo.org>; molden-4.0.ebuild:
+  x86.
+
+*molden-4.1 (27 Jul 2004)
+
+  27 Jul 2004; Donnie Berkholz <spyderous@gentoo.org>; +molden-4.1.ebuild:
+  Version bump (#57960). Add virtual/libc and virtual/x11 to DEPEND. Upstream
+  changes include bugfixes and addition of interactive docking.
+
+  21 May 2004; Danny van Dyk <kugelfang@gentoo.org> :
+  Marked ~amd64.
+
+  15 May 2004; Danny van Dyk <kugelfang@gentoo.org> molden-4.0.ebuild:
+  Marked ~amd64.
+
+  05 May 2004; Bryan �stergaard <kloeri@gentoo.org> molden-4.0.ebuild:
+  Stable on alpha.
+
+  21 Apr 2004; Donnie Berkholz <spyderous@gentoo.org>; molden-4.0.ebuild:
+  ~alpha for agriffis.
+
+  21 Apr 2004; Donnie Berkholz <spyderous@gentoo.org>; molden-4.0.ebuild:
+  Some wizardly bash replacements for sed by Aron Griffis <agriffis@gentoo.org>
+  (#46816).
+
+  04 Apr 2004; Aron Griffis <agriffis@gentoo.org> molden-3.9.ebuild,
+  molden-4.0.ebuild:
+  Add ia64 keywords for bug 46559
+
+  13 Mar 2004; Donnie Berkholz <spyderous@gentoo.org>; :
+  Upstream changed the tarball. Fixing digest.
+
+*molden-4.0 (28 Feb 2004)
+
+  28 Feb 2004; Donnie Berkholz <spyderous@gentoo.org>; molden-4.0.ebuild:
+  Version bump. Uses 3.9 patch, so don't remove that when dropping 3.9.
+
+  28 Feb 2004; Donnie Berkholz <spyderous@gentoo.org>; molden-3.9.ebuild:
+  Add missing glut dep for opengl USE.
+
+*molden-3.9 (10 Nov 2003)
+
+  10 Nov 2003; Donnie Berkholz <spyderous@gentoo.org>; molden-3.9.ebuild,
+  files/molden-3.9-fixMakefile.patch:
+  Thanks to Rossen Apostolov <rossen@protein.osaka-u.ac.jp> on bug #33001 for
+  the initial ebuild, with further modifications by me.
+
diff --git a/sci-chemistry/molden/Manifest b/sci-chemistry/molden/Manifest
new file mode 100644
index 000000000000..4ff9dae9177a
--- /dev/null
+++ b/sci-chemistry/molden/Manifest
@@ -0,0 +1,9 @@
+MD5 1a39dbf3a074bbe6efbd4748075b747f ChangeLog 2412
+MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248
+MD5 d9303a38223d795d3d04029dc165046a molden-3.9.ebuild 1745
+MD5 71556331e4e81846c5ad9ce73e22ba99 molden-4.0.ebuild 1826
+MD5 090fa3c99deba224eb2c725eb60aee46 molden-4.1.ebuild 1838
+MD5 d06154ddfaab5d99bd967f2ca2b53652 files/digest-molden-3.9 61
+MD5 bbe8bcdbccb478cc81982616a13d5e5f files/digest-molden-4.0 61
+MD5 05e3e6790a565d9173b003c02a09c902 files/digest-molden-4.1 61
+MD5 a7a0b16c6ab47f386e92f719c1eb6966 files/molden-3.9-fixMakefile.patch 1232
diff --git a/sci-chemistry/molden/files/digest-molden-3.9 b/sci-chemistry/molden/files/digest-molden-3.9
new file mode 100644
index 000000000000..17b4a60fa9d7
--- /dev/null
+++ b/sci-chemistry/molden/files/digest-molden-3.9
@@ -0,0 +1 @@
+MD5 b6ad8507344c5726e9ec371ea06a6a5b molden3.9.tar.Z 3209453
diff --git a/sci-chemistry/molden/files/digest-molden-4.0 b/sci-chemistry/molden/files/digest-molden-4.0
new file mode 100644
index 000000000000..7dc8daf414c8
--- /dev/null
+++ b/sci-chemistry/molden/files/digest-molden-4.0
@@ -0,0 +1 @@
+MD5 3e53a043e451f3cf0aa73d16a0d21c0a molden4.0.tar.Z 3220858
diff --git a/sci-chemistry/molden/files/digest-molden-4.1 b/sci-chemistry/molden/files/digest-molden-4.1
new file mode 100644
index 000000000000..0bb15280fba4
--- /dev/null
+++ b/sci-chemistry/molden/files/digest-molden-4.1
@@ -0,0 +1 @@
+MD5 991c5de7a8561568bb19eb8632b6a0d6 molden4.1.tar.Z 3295672
diff --git a/sci-chemistry/molden/files/molden-3.9-fixMakefile.patch b/sci-chemistry/molden/files/molden-3.9-fixMakefile.patch
new file mode 100644
index 000000000000..cb7fd3856f7e
--- /dev/null
+++ b/sci-chemistry/molden/files/molden-3.9-fixMakefile.patch
@@ -0,0 +1,47 @@
+diff -urN molden3.9-orig/makefile molden3.9/makefile
+--- molden3.9-orig/makefile	2003-11-10 00:28:48.744433167 -0500
++++ molden3.9/makefile	2003-11-10 00:29:18.327453549 -0500
+@@ -16,9 +16,9 @@
+ LIBS =  -lX11 -lm
+ 
+ # Silicon Graphics
+-CFLAGS = -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
+-FFLAGS =   
+-LDR = f77 
++#CFLAGS = -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
++#FFLAGS =   
++#LDR = f77 
+ 
+ # Ultrix, Dec Alpha, Linux ( and best start for Unix other than below )
+ #
+@@ -40,11 +40,11 @@
+ #
+ # On 64-bit Alpha-Linux add -mieee to the FFLAGS
+ #
+-#CFLAGS = -c -I/usr/X11R6/include -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
+-#FC = g77
+-#FFLAGS =
+-#LIBS =  -L/usr/X11R6/lib -lX11 -lm
+-#LDR = g77   
++CFLAGS = -c -I/usr/X11R6/include -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
++FC = g77
++FFLAGS =
++LIBS =  -L/usr/X11R6/lib -lX11 -lm
++LDR = g77   
+ #
+ 
+ #
+@@ -160,11 +160,11 @@
+ # For The OpenGL Graphics library molden helper 'moldenogl'
+ # (make moldenogl)
+ #
+-LIBSG = -lglut -lGLU -lGL -lXmu -lX11 -lm
++#LIBSG = -lglut -lGLU -lGL -lXmu -lX11 -lm
+ #
+ # on linux :
+ #
+-#LIBSG = -L/usr/X11R6/lib -lglut -lGLU -lGL -lXmu -lX11 -lm
++LIBSG = -L/usr/X11R6/lib -lglut -lGLU -lGL -lXmu -lX11 -lm
+ #
+ # on linux with older Mesa installations try:
+ #
diff --git a/sci-chemistry/molden/metadata.xml b/sci-chemistry/molden/metadata.xml
new file mode 100644
index 000000000000..211b8bd0f0a4
--- /dev/null
+++ b/sci-chemistry/molden/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>
diff --git a/sci-chemistry/molden/molden-3.9.ebuild b/sci-chemistry/molden/molden-3.9.ebuild
new file mode 100644
index 000000000000..99f32f10f413
--- /dev/null
+++ b/sci-chemistry/molden/molden-3.9.ebuild
@@ -0,0 +1,69 @@
+# Copyright 1999-2004 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/molden-3.9.ebuild,v 1.1 2004/12/24 16:46:10 ribosome Exp $
+
+inherit toolchain-funcs eutils
+
+MY_P="${PN}${PV}"
+DESCRIPTION="Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac."
+HOMEPAGE="http://www.cmbi.kun.nl/~schaft/molden/molden.html"
+SRC_URI="ftp://ftp.cmbi.kun.nl/pub/molgraph/${PN}/${MY_P}.tar.Z"
+
+LICENSE="as-is"
+SLOT="0"
+KEYWORDS="~x86 ia64"
+IUSE="opengl"
+
+DEPEND=""
+RDEPEND="virtual/x11
+	opengl? ( media-libs/glut )"
+
+S=${WORKDIR}/${MY_P}
+
+src_unpack() {
+	# Set fortran compiler, since gcc-config doesn't
+	[ -z ${FC} ] && FC="g77"
+
+	# Check for fortran compiler
+	if [ ! "`which ${FC} 2> /dev/null`" ]; then
+		eerror "Fortran compiler not found."
+		eerror "Please recompile sys-devel/gcc with f77 in USE flags."
+		die
+	fi
+
+	unpack ${A}
+	cd ${S}
+
+	epatch ${FILESDIR}/${PF}-fixMakefile.patch
+	# Respect CC
+	sed -i -e "s:^CC = cc:CC = $(tc-getCC):g" ${S}/makefile
+	# Respect $CFLAGS
+	sed -i -e "s:^CFLAGS = :CFLAGS = ${CFLAGS} :g" ${S}/makefile
+	# Respect $FC if set
+	if [ -n "${FC}" ] ; then
+		sed -i -e "s:^FC = g77:FC = ${FC}:g" ${S}/makefile
+		sed -i -e "s:^LDR = g77:LDR = ${FC}:g" ${S}/makefile
+	fi
+	# Respect $FFLAGS if set
+	if [ -n "${FFLAGS}" ] ; then
+		sed -i -e "s:^FFLAGS =:FFLAGS = ${FFLAGS}:g" ${S}/makefile
+	fi
+}
+
+src_compile() {
+	einfo "Building Molden..."
+	emake || die "molden emake failed"
+	if use opengl ; then
+		einfo "Building Molden OpenGL helper..."
+		emake moldenogl || die "moldenogl emake failed"
+	fi
+}
+
+src_install() {
+	dobin molden
+	use opengl && dobin moldenogl
+	dodoc HISTORY README REGISTER
+	cd doc
+	uncompress *
+	dodoc *
+}
diff --git a/sci-chemistry/molden/molden-4.0.ebuild b/sci-chemistry/molden/molden-4.0.ebuild
new file mode 100644
index 000000000000..a895afa54a4a
--- /dev/null
+++ b/sci-chemistry/molden/molden-4.0.ebuild
@@ -0,0 +1,69 @@
+# Copyright 1999-2004 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/molden-4.0.ebuild,v 1.1 2004/12/24 16:46:10 ribosome Exp $
+
+inherit eutils toolchain-funcs flag-o-matic
+
+MY_P="${PN}${PV}"
+DESCRIPTION="Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac."
+HOMEPAGE="http://www.cmbi.kun.nl/~schaft/molden/molden.html"
+SRC_URI="ftp://ftp.cmbi.kun.nl/pub/molgraph/${PN}/${MY_P}.tar.Z"
+
+LICENSE="as-is"
+SLOT="0"
+KEYWORDS="x86 ~ia64 alpha ~amd64"
+IUSE="opengl"
+
+DEPEND=""
+RDEPEND="virtual/x11
+	opengl? ( media-libs/glut )"
+
+S=${WORKDIR}/${MY_P}
+
+src_unpack() {
+	# Set fortran compiler, since gcc-config doesn't
+	[ -z ${FC} ] && FC="g77"
+
+	# Check for fortran compiler
+	if [ ! "`which ${FC} 2> /dev/null`" ]; then
+		eerror "Fortran compiler not found."
+		eerror "Please recompile sys-devel/gcc with f77 in USE flags."
+		die
+	fi
+
+	unpack ${A}
+	cd ${S}
+
+	# No need to add a new identical patch
+	# assuming people don't stupidly remove 3.9 patch with 3.9
+	epatch ${FILESDIR}/${PN}-3.9-fixMakefile.patch
+}
+
+src_compile() {
+	# Use -mieee on alpha, according to the Makefile
+	use alpha && append-flags -mieee
+
+	# Honor CC, CFLAGS, FC, and FFLAGS from environment;
+	# unfortunately a bash bug prevents us from doing typeset and
+	# assignment on the same line.
+	typeset -a args
+	args=( CC="$(tc-getCC) ${CFLAGS}" \
+		${FC:+FC="${FC}" LDR="${FC}"} \
+		${FFLAGS:+FFLAGS="${FFLAGS}"} )
+
+	einfo "Building Molden..."
+	emake "${args[@]}" || die "molden emake failed"
+	if use opengl ; then
+		einfo "Building Molden OpenGL helper..."
+		emake "${args[@]}" moldenogl || die "moldenogl emake failed"
+	fi
+}
+
+src_install() {
+	dobin molden
+	use opengl && dobin moldenogl
+	dodoc HISTORY README REGISTER
+	cd doc
+	uncompress *
+	dodoc *
+}
diff --git a/sci-chemistry/molden/molden-4.1.ebuild b/sci-chemistry/molden/molden-4.1.ebuild
new file mode 100644
index 000000000000..fe712b0bc895
--- /dev/null
+++ b/sci-chemistry/molden/molden-4.1.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2004 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/molden-4.1.ebuild,v 1.1 2004/12/24 16:46:10 ribosome Exp $
+
+inherit eutils toolchain-funcs flag-o-matic
+
+MY_P="${PN}${PV}"
+DESCRIPTION="Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac."
+HOMEPAGE="http://www.cmbi.kun.nl/~schaft/molden/molden.html"
+SRC_URI="ftp://ftp.cmbi.kun.nl/pub/molgraph/${PN}/${MY_P}.tar.Z"
+
+LICENSE="as-is"
+SLOT="0"
+KEYWORDS="x86 ~amd64"
+IUSE="opengl"
+
+DEPEND="virtual/libc
+	virtual/x11"
+RDEPEND="virtual/x11
+	opengl? ( media-libs/glut )"
+
+S=${WORKDIR}/${MY_P}
+
+src_unpack() {
+	# Set fortran compiler, since gcc-config doesn't
+	[ -z ${FC} ] && FC="g77"
+
+	# Check for fortran compiler
+	if [ ! "`which ${FC} 2> /dev/null`" ]; then
+		eerror "Fortran compiler not found."
+		eerror "Please recompile sys-devel/gcc with f77 in USE flags."
+		die
+	fi
+
+	unpack ${A}
+	cd ${S}
+
+	# No need to add a new identical patch
+	# assuming people don't stupidly remove 3.9 patch with 3.9
+	epatch ${FILESDIR}/${PN}-3.9-fixMakefile.patch
+}
+
+src_compile() {
+	# Use -mieee on alpha, according to the Makefile
+	use alpha && append-flags -mieee
+
+	# Honor CC, CFLAGS, FC, and FFLAGS from environment;
+	# unfortunately a bash bug prevents us from doing typeset and
+	# assignment on the same line.
+	typeset -a args
+	args=( CC="$(tc-getCC) ${CFLAGS}" \
+		${FC:+FC="${FC}" LDR="${FC}"} \
+		${FFLAGS:+FFLAGS="${FFLAGS}"} )
+
+	einfo "Building Molden..."
+	emake "${args[@]}" || die "molden emake failed"
+	if use opengl ; then
+		einfo "Building Molden OpenGL helper..."
+		emake "${args[@]}" moldenogl || die "moldenogl emake failed"
+	fi
+}
+
+src_install() {
+	dobin molden
+	use opengl && dobin moldenogl
+	dodoc HISTORY README REGISTER
+	cd doc
+	uncompress *
+	dodoc *
+}