shiftx added

5 files changed, 78 insertions, 0 deletions

diff --git a/sci-chemistry/shiftx/ChangeLog b/sci-chemistry/shiftx/ChangeLog
new file mode 100644
index 000000000..3284d504c
--- /dev/null
+++ b/sci-chemistry/shiftx/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/shiftx
+# Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+*shiftx-1.1 (14 Jun 2009)
+
+  14 Jun 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
+  +files/1.1-Makefile.patch, +shiftx-1.1.ebuild, +metadata.xml:
+  Initial checkin
+
diff --git a/sci-chemistry/shiftx/Manifest b/sci-chemistry/shiftx/Manifest
new file mode 100644
index 000000000..794f7b144
--- /dev/null
+++ b/sci-chemistry/shiftx/Manifest
@@ -0,0 +1,5 @@
+AUX 1.1-Makefile.patch 607 RMD160 fd424541429c99088ddcf51f38cde086fd164fa4 SHA1 5300236c746867155a0f2e1f27c1244c766fe8ef SHA256 a527f76fa3a6c97d1ff8eb2e380806c2c7aacc0126b4168659818441bbed57aa
+DIST shiftx.tar.gz 318768 RMD160 1fed3bb1cb4988a0748751cd3568d1a560fa812b SHA1 5d40e818e49ae53a7b740181b3660c622af66229 SHA256 2a4b00adfc39d39d2f28c09f78e3c9c7ab8b28e96c4e5efcdffeedfac00ab1ef
+EBUILD shiftx-1.1.ebuild 717 RMD160 5551b14c6c209d261b1a1b12f8e1f33db391ff6f SHA1 a4f8a1495e861b0dda614e87520c7a8dfcc7c1a1 SHA256 cd9354b12cfedc2d03d54028a1a44b6984a142faa142ce08a5a88de631512b5e
+MISC ChangeLog 288 RMD160 bef0b27c1af9a5891a8fbf03a4d49d9b3c63ca03 SHA1 f6c1796390926092a60a172872992893ebe302d6 SHA256 9ccc954c7bdc600eb6dfca2ad85d308126c6e28058198b0cb74ec92f4e4dc2d0
+MISC metadata.xml 215 RMD160 bc9c07aa91f2f175542244e4e4522a73558210a1 SHA1 facb283386de1c0b6b938cdcd4dde04d1694298b SHA256 13f32353652adbd3d934d41381cfc2cacc9e1127c508cebc73806cc1026ee80c
diff --git a/sci-chemistry/shiftx/files/1.1-Makefile.patch b/sci-chemistry/shiftx/files/1.1-Makefile.patch
new file mode 100644
index 000000000..167875241
--- /dev/null
+++ b/sci-chemistry/shiftx/files/1.1-Makefile.patch
@@ -0,0 +1,22 @@
+--- Makefile	2004-08-03 20:33:20.000000000 +0200
++++ Makefile.new	2009-06-14 10:49:40.000000000 +0200
+@@ -6,8 +6,8 @@
+ # E-Mail:   anip@redpoll.pharmacy.ualberta.ca
+ #
+ #CC=gcc -Xcpluscomm -cckr
+-CC=/usr/bin/gcc
+-CFLAGS=-O3
++#CC=/usr/bin/gcc
++#CFLAGS=-O3
+ SYSLIB=
+ INCLUDES=-I/usr/include
+ LIBS=$(SYSLIB) -lm 
+@@ -25,7 +25,7 @@
+ all: shiftx
+ 
+ shiftx:	$(OBJS)
+-	$(CC) $(OBJS) $(CFLAGS) $(LIBS) -o $@
++	$(CC) $(CFLAGS) $(LDFLAGS) $(OBJS) $(LIBS) -o $@
+ 
+ Main.o:		Main.c main.h states.h nn.h ssbond.h residue.h hetatm.h cs.h \
+                 phipsi.h torison.h hydrogens.h rings.h es.h proline.h hbond.h \
diff --git a/sci-chemistry/shiftx/metadata.xml b/sci-chemistry/shiftx/metadata.xml
new file mode 100644
index 000000000..efb490d78
--- /dev/null
+++ b/sci-chemistry/shiftx/metadata.xml
@@ -0,0 +1,8 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci</herd>
+<maintainer>
+  <email>sci@gentoo.org</email>
+</maintainer>
+</pkgmetadata>
diff --git a/sci-chemistry/shiftx/shiftx-1.1.ebuild b/sci-chemistry/shiftx/shiftx-1.1.ebuild
new file mode 100644
index 000000000..336c77cca
--- /dev/null
+++ b/sci-chemistry/shiftx/shiftx-1.1.ebuild
@@ -0,0 +1,33 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+inherit base toolchain-funcs
+
+DESCRIPTION="With this form you can predict 1H, 13C and 15N chemical shifts for your favorite protein"
+HOMEPAGE="http://redpoll.pharmacy.ualberta.ca/shiftx/"
+SRC_URI="http://redpoll.pharmacy.ualberta.ca/download/${PN}/${PN}.tar.gz"
+
+LICENSE="as-is"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+
+S="${WORKDIR}"/${PN}
+
+PATCHES=(
+	"${FILESDIR}"/${PV}-Makefile.patch
+)
+
+DOCS="README FEATURES *.pdb *.out"
+
+src_compile() {
+	emake \
+		CC="$(tc-getCC)" || \
+		die "compilation failed"
+}
+
+src_install() {
+	dobin ${PN} || die "installationof ${PN} failed"
+	dodoc ${DOCS} || die
+}