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authorMarkus Dittrich <markusle@gentoo.org>2006-10-03 01:49:26 +0000
committerMarkus Dittrich <markusle@gentoo.org>2006-10-03 01:49:26 +0000
commit4e239e01bc9b05c915dd806cf6bfba5cfffa5956 (patch)
tree889cd25b2a5291896a3bbf3c0de1b044a8b6df89 /sci-chemistry
parentversion bump from overlay (diff)
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Version bump (fixes bug #138642).
(Portage version: 2.1.2_pre2)
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/molden/ChangeLog9
-rw-r--r--sci-chemistry/molden/files/digest-molden-4.32
-rw-r--r--sci-chemistry/molden/files/digest-molden-4.43
-rw-r--r--sci-chemistry/molden/files/molden-4.4-gfortran-gentoo.patch12
-rw-r--r--sci-chemistry/molden/molden-4.4.ebuild59
5 files changed, 84 insertions, 1 deletions
diff --git a/sci-chemistry/molden/ChangeLog b/sci-chemistry/molden/ChangeLog
index 008a9e431051..e7b45c6ed485 100644
--- a/sci-chemistry/molden/ChangeLog
+++ b/sci-chemistry/molden/ChangeLog
@@ -1,6 +1,13 @@
# ChangeLog for sci-chemistry/molden
# Copyright 2000-2006 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/ChangeLog,v 1.17 2006/09/20 05:08:59 dberkholz Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/ChangeLog,v 1.18 2006/10/03 01:49:26 markusle Exp $
+
+*molden-4.4 (03 Oct 2006)
+
+ 03 Oct 2006; Markus Dittrich <markusle@gentoo.org>
+ +files/molden-4.4-gfortran-gentoo.patch, +molden-4.4.ebuild:
+ Version bump (fixes bug #138642). Thanks to je_fro
+ <je_fro@yahoo.com> for his ebuild and patch.
20 Sep 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
(#148281) Change herd to sci-chemistry from sci.
diff --git a/sci-chemistry/molden/files/digest-molden-4.3 b/sci-chemistry/molden/files/digest-molden-4.3
index 227b171d48c7..26c438cd2164 100644
--- a/sci-chemistry/molden/files/digest-molden-4.3
+++ b/sci-chemistry/molden/files/digest-molden-4.3
@@ -1 +1,3 @@
MD5 12542915523bd24ea2177d07508685ca molden4.3.tar.Z 3334599
+RMD160 e487adce261b97df3b7477b48fb067042956cc79 molden4.3.tar.Z 3334599
+SHA256 21535a2fe4d20123a170cb1e9903b89608acb2014dbf7aee4d143748a5c3381c molden4.3.tar.Z 3334599
diff --git a/sci-chemistry/molden/files/digest-molden-4.4 b/sci-chemistry/molden/files/digest-molden-4.4
new file mode 100644
index 000000000000..8e2665cc63fa
--- /dev/null
+++ b/sci-chemistry/molden/files/digest-molden-4.4
@@ -0,0 +1,3 @@
+MD5 c50e5b4baf9cc453702fbc63649cfe44 molden4.4.tar.Z 3556861
+RMD160 bef1e9092d87323b1f9b2842b4beaadbd0c6a212 molden4.4.tar.Z 3556861
+SHA256 0eadbe629485d408440586aed81f7761c354636a2a36ae996e1f21a2c59db23a molden4.4.tar.Z 3556861
diff --git a/sci-chemistry/molden/files/molden-4.4-gfortran-gentoo.patch b/sci-chemistry/molden/files/molden-4.4-gfortran-gentoo.patch
new file mode 100644
index 000000000000..c5df6d545931
--- /dev/null
+++ b/sci-chemistry/molden/files/molden-4.4-gfortran-gentoo.patch
@@ -0,0 +1,12 @@
+diff -Naur molden4.4-old/molden.f molden4.4/molden.f
+--- molden4.4-old/molden.f 2006-07-10 07:46:06.000000000 -0400
++++ molden4.4/molden.f 2006-10-02 21:05:15.000000000 -0400
+@@ -255,7 +255,7 @@
+ common /vrmlhl/ spcdfil
+ common /pmflvl/ ipmfm,ipmfh,pmflev(mxpmfl),levcol(mxpmfl)
+ common /comsrf/ vo(3), rt(3),v1t(3),v2t(3),v3t(3)
+- external iargc
++c external iargc
+ dimension fcnt(mxcntr)
+ character title*80, keywrd*160, keyhlp*80, keyori*160
+ character tmpstr*80,movfil*80,vrmlfil*80,povfil*80,oglfil*80
diff --git a/sci-chemistry/molden/molden-4.4.ebuild b/sci-chemistry/molden/molden-4.4.ebuild
new file mode 100644
index 000000000000..62e5b2b9ffb4
--- /dev/null
+++ b/sci-chemistry/molden/molden-4.4.ebuild
@@ -0,0 +1,59 @@
+# Copyright 1999-2006 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/molden-4.4.ebuild,v 1.1 2006/10/03 01:49:26 markusle Exp $
+
+inherit eutils toolchain-funcs flag-o-matic fortran
+
+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="~alpha ~amd64 ~ia64 ~x86"
+IUSE="opengl"
+
+RDEPEND="opengl? ( virtual/glut
+ virtual/opengl )
+ || ( x11-libs/libXmu virtual/x11 )"
+DEPEND="${RDEPEND}
+ virtual/libc"
+
+S="${WORKDIR}/${MY_P}"
+
+FORTRAN="g77 gfortran"
+
+src_unpack() {
+ unpack ${A}
+ cd "${S}"
+ epatch "${FILESDIR}"/${P}-gfortran-gentoo.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) ${CFLAGS}" \
+ FC="${FORTRANC}" LDR="${FORTRANC}" FFLAGS="${FFLAGS}" )
+
+ einfo "Building Molden..."
+ emake -j1 "${args[@]}" || die "molden emake failed"
+ if use opengl ; then
+ einfo "Building Molden OpenGL helper..."
+ emake -j1 "${args[@]}" moldenogl || die "moldenogl emake failed"
+ fi
+}
+
+src_install() {
+ dobin molden
+ use opengl && dobin moldenogl
+ dodoc HISTORY README REGISTER
+ cd doc
+ uncompress *
+ dodoc *
+}