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authorDonnie Berkholz <dberkholz@gentoo.org>2008-01-08 17:36:11 -0800
committerDonnie Berkholz <dberkholz@gentoo.org>2008-01-08 17:36:11 -0800
commitda4f3b73f6f007072c8f53f26746ac6e18dcce74 (patch)
tree61890dd15395d0e2bcfa415694198cb47df725dd /sci-biology
parentAdd mammoth-mult. (diff)
parentAdd mammoth and mammoth-mult structural superimposition tools. (diff)
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Merge branch 'master' of git+ssh://git@pelican.gentoo.org/dev/dberkholz
Diffstat (limited to 'sci-biology')
-rw-r--r--sci-biology/mammoth/ChangeLog12
-rw-r--r--sci-biology/mammoth/Manifest5
-rw-r--r--sci-biology/mammoth/files/1.0-consistent-system-intrinsic.patch21
-rw-r--r--sci-biology/mammoth/files/digest-mammoth-1.03
-rw-r--r--sci-biology/mammoth/mammoth-1.0.ebuild55
-rw-r--r--sci-biology/mammoth/metadata.xml5
6 files changed, 101 insertions, 0 deletions
diff --git a/sci-biology/mammoth/ChangeLog b/sci-biology/mammoth/ChangeLog
new file mode 100644
index 0000000..eef3342
--- /dev/null
+++ b/sci-biology/mammoth/ChangeLog
@@ -0,0 +1,12 @@
+# ChangeLog for sci-biology/mammoth
+# Copyright 1999-2007 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-biology/mammoth/ChangeLog,v 1.1 2007/12/10 09:11:28 dberkholz Exp $
+
+*mammoth-1.0 (10 Dec 2007)
+
+ 10 Dec 2007; Donnie Berkholz <dberkholz@gentoo.org>;
+ +files/1.0-consistent-system-intrinsic.patch, +metadata.xml,
+ +mammoth-1.0.ebuild:
+ Add mammoth, a nice structural alignment program. It contains the MaxSub
+ algorithm, which is used by lots of people.
+
diff --git a/sci-biology/mammoth/Manifest b/sci-biology/mammoth/Manifest
new file mode 100644
index 0000000..188e2a7
--- /dev/null
+++ b/sci-biology/mammoth/Manifest
@@ -0,0 +1,5 @@
+AUX 1.0-consistent-system-intrinsic.patch 680 RMD160 71a2feeb7e856d37c5fa7c56e685f29ca1be0eaa SHA1 f0d388f1bea4badd8a127242057d8aeb01c8d974 SHA256 34f47d312af131414154a244218bb4e548d51a3d34b9ed4379c2ec90fba094ca
+DIST mammoth-1.0-src.tgz 319617 RMD160 32b6c9c994ba804fab352cc9cfaa3358784f1052 SHA1 79b5b3ef8873645cf102516df1de7d9b97f206c2 SHA256 7a21bc47db4a47cc5ebeeb4c46761a79eece0a802104a3d6189f388a03e59de2
+EBUILD mammoth-1.0.ebuild 1336 RMD160 de09314d4d57caea17ef80eab612668af7752472 SHA1 513eddeb4d149c71a4ddc2f47cbf9504258c93a6 SHA256 68104c8a6426ddc32bcae4c6e88914099812effb9bc2b9bf4dcf3d2da4101067
+MISC ChangeLog 505 RMD160 3dcf795563bb2289ced1e149443bfd40489dfab6 SHA1 78742b43ecac3dc6af9eb36bf771b839a74b1c8d SHA256 b824b7cc06cc967569e17b2b1069bc68e2af392efee067eef4f57c18f9e8bd0c
+MISC metadata.xml 164 RMD160 2f441200f2672ab5f1efae7cbdb08b284603903c SHA1 61a50baedfd041e663d6c2a41a28b57e22dbb6de SHA256 f0897b09e661dc603041dab249d73253034659189becf1a34cca37a7d51ef72f
diff --git a/sci-biology/mammoth/files/1.0-consistent-system-intrinsic.patch b/sci-biology/mammoth/files/1.0-consistent-system-intrinsic.patch
new file mode 100644
index 0000000..63bf9f2
--- /dev/null
+++ b/sci-biology/mammoth/files/1.0-consistent-system-intrinsic.patch
@@ -0,0 +1,21 @@
+http://gcc.gnu.org/onlinedocs/gcc-4.2.2/gfortran/SYSTEM.html#SYSTEM
+
+This intrinsic is provided in both subroutine and function forms;
+however, only one form can be used in any given program unit.
+
+--- src/6apply_rot_tras.f.orig 2007-12-10 00:51:35.000000000 -0800
++++ src/6apply_rot_tras.f 2007-12-10 00:55:07.000000000 -0800
+@@ -47,11 +47,11 @@
+ endif
+
+
+- call system ('echo $PWD > junk1')
++ i = system ('echo $PWD > junk1')
+ open(unit=21,file='junk1')
+ read(21,'(a340)', end=7) path
+ 7 close(21)
+- call system ('rm -f junk1')
++ i = system ('rm -f junk1')
+
+ c write(6,*)'my path is ', path
+ c write(6,*)tras1,tras2,tras3,
diff --git a/sci-biology/mammoth/files/digest-mammoth-1.0 b/sci-biology/mammoth/files/digest-mammoth-1.0
new file mode 100644
index 0000000..3b87d31
--- /dev/null
+++ b/sci-biology/mammoth/files/digest-mammoth-1.0
@@ -0,0 +1,3 @@
+MD5 241c7b3ba69974015ea82dad13b5a987 mammoth-1.0-src.tgz 319617
+RMD160 32b6c9c994ba804fab352cc9cfaa3358784f1052 mammoth-1.0-src.tgz 319617
+SHA256 7a21bc47db4a47cc5ebeeb4c46761a79eece0a802104a3d6189f388a03e59de2 mammoth-1.0-src.tgz 319617
diff --git a/sci-biology/mammoth/mammoth-1.0.ebuild b/sci-biology/mammoth/mammoth-1.0.ebuild
new file mode 100644
index 0000000..8d2b123
--- /dev/null
+++ b/sci-biology/mammoth/mammoth-1.0.ebuild
@@ -0,0 +1,55 @@
+# Copyright 1999-2007 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-biology/mammoth/mammoth-1.0.ebuild,v 1.1 2007/12/10 09:11:28 dberkholz Exp $
+
+inherit autotools eutils fortran
+
+MY_P="${P}-src"
+
+DESCRIPTION="MAtching Molecular Models Obtained from THeory"
+HOMEPAGE="http://ub.cbm.uam.es/software.php"
+SRC_URI="${MY_P}.tgz"
+LICENSE="mammoth"
+SLOT="0"
+KEYWORDS="~ppc ~x86"
+IUSE=""
+RESTRICT="fetch"
+RDEPEND=""
+DEPEND="${RDEPEND}"
+S=${WORKDIR}/${MY_P}
+FORTRAN="gfortran g77"
+
+pkg_nofetch() {
+ einfo "Download the source code for MAMMOTH from"
+ einfo "${HOMEPAGE}"
+ einfo "and place it in ${DISTDIR}"
+}
+
+src_unpack() {
+ unpack ${A}
+ cd "${S}"
+
+ # Broken with gfortran without this patch
+ epatch "${FILESDIR}"/${PV}-consistent-system-intrinsic.patch
+
+ case ${FORTRANC} in
+ g77) append-fflags -ffixed-line-length-none ;;
+ gfortran) append-fflags -ffixed-line-length-none ;;
+ esac
+
+ # It comes with a custom-modified configure for some reason,
+ # which forces you to pass in the Fortran compiler as a parameter.
+ # Let's do the standard stuff instead.
+ eautoreconf
+}
+
+src_install() {
+ emake DESTDIR="${D}" install || die "emake install failed"
+ dodoc README AUTHORS || die
+}
+
+append-fflags() {
+ [[ -z $* ]] && return 0
+ export FFLAGS="${FFLAGS} $*"
+ return 0
+}
diff --git a/sci-biology/mammoth/metadata.xml b/sci-biology/mammoth/metadata.xml
new file mode 100644
index 0000000..34294c6
--- /dev/null
+++ b/sci-biology/mammoth/metadata.xml
@@ -0,0 +1,5 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci-biology</herd>
+</pkgmetadata>