sci-chemistry/ccp4i bump due to change in recmac5.tcl

4 files changed, 126 insertions, 1 deletions

diff --git a/sci-chemistry/ccp4i/ChangeLog b/sci-chemistry/ccp4i/ChangeLog
index abf546891..72c5b91ac 100644
--- a/sci-chemistry/ccp4i/ChangeLog
+++ b/sci-chemistry/ccp4i/ChangeLog
@@ -2,6 +2,12 @@
 # Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*ccp4i-6.1.1-r2 (27 Mar 2009)
+
+  27 Mar 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
+  +files/6.1.1-refmac.tcl.patch, +ccp4i-6.1.1-r2.ebuild:
+  latest refmac5.tcl update included
+
   12 Mar 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
   +files/6.1.1-rename-rapper.patch, ccp4i-6.1.1-r1.ebuild:
   rapper conflict with media-libs/raptor resolved
diff --git a/sci-chemistry/ccp4i/Manifest b/sci-chemistry/ccp4i/Manifest
index 7becc47c9..497962953 100644
--- a/sci-chemistry/ccp4i/Manifest
+++ b/sci-chemistry/ccp4i/Manifest
@@ -1,8 +1,10 @@
+AUX 6.1.1-refmac.tcl.patch 2070 RMD160 4659939635234155890cb1c062a23810e88d190b SHA1 237771888ad346aad33f3e02e5c49c46074f966d SHA256 1395fdfb665b735f1df66e8794317f5e776b184deaaf146feeba4d6ed2e0094d
 AUX 6.1.1-rename-rapper.patch 380 RMD160 e8306cec04348a56fbe00026333b27ce2a8544f8 SHA1 f5a87898394add359a1e6f6ceb837530dc53646f SHA256 e15407959e565d32874d2db9003168559b7e9b14f0e68207560d4a5b4db8a728
 AUX 6.1.1-rename-truncate.patch 810 RMD160 33f8cb14a3bc0f9c6cd249df07f469c9d6601e4d SHA1 ac13f02b6141802e3762efe50a3d270169da0a54 SHA256 5a298cce47726d78ece397affdf1f2d550be520565c7dc5b47a953ab01d23ccd
 DIST ccp4-6.1.1-core-src.tar.gz 246661086 RMD160 6722367727e4b6b1f8456f1458c9aac124923a89 SHA1 9141801e021f8a5107ed1e3989840e4de849b39c SHA256 56f971e05fe4543173451e48600813492fd0081b25d4a659cb0fed1fd2529407
 DIST ccp4-6.1.1-src-patch-04_03_09.tar.gz 279642 RMD160 1a7c3b6cc846d315fc577e78b4aa00ab85a3d3d2 SHA1 29dbb84f3d63fc860694473ca99cf8bb71dae18a SHA256 eb806168235b55fbafdd72591ba94d35b78cc715a56a8b90979644d420ad672a
 EBUILD ccp4i-6.1.1-r1.ebuild 1219 RMD160 f2030fb10f766e5de0415e5cbb2edd78da5df5cd SHA1 b6e382f2591c44c1cad007fb7295f397ca464022 SHA256 49c498adffd6e7e3458313754379197c2d20c04a5b63cfcf714595a0bda93d9c
+EBUILD ccp4i-6.1.1-r2.ebuild 1231 RMD160 da4efa730a93c5f1e7789c2768909abba7bf973c SHA1 a4169f9d8967c66f54abe8dd18500fb832927ce3 SHA256 4230d7557ddcb5d1df16c98d188fa54e7cbbe37cb9ac3e559277032170641a2a
 EBUILD ccp4i-6.1.1.ebuild 1089 RMD160 e225f61af93a358cac3f45e4054efb2f8a769058 SHA1 0440ec99a916c3e9f2a60a1d46923448b53df725 SHA256 102cc32d340a91539dedef01240863d9c947f2ef14b6dc93ca2ae9b95e8b86de
-MISC ChangeLog 636 RMD160 618ed42907bcd729c757a6af527be5583018a08c SHA1 bc066c14e25f45c8d873e8260d80bb13dcbb9452 SHA256 6e5b4d5470666b2cc199e349be594f2adc13cbd8320157cc1138aa7ddb70e877
+MISC ChangeLog 819 RMD160 807293faa29bc6fdffef7ce8570f230da0a0b4c8 SHA1 006789dff33dec7fdc7f1b14503b9fc954fbe697 SHA256 7b6dbd66f48597fd6c2974b486b2cca72a3deafc9b4cb421f916c3590b16a5bf
 MISC metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 SHA1 cb0b513473c0348f4f6f6cd9a132e4884155fddb SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852
diff --git a/sci-chemistry/ccp4i/ccp4i-6.1.1-r2.ebuild b/sci-chemistry/ccp4i/ccp4i-6.1.1-r2.ebuild
new file mode 100644
index 000000000..c7f0b09a0
--- /dev/null
+++ b/sci-chemistry/ccp4i/ccp4i-6.1.1-r2.ebuild
@@ -0,0 +1,58 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+inherit eutils multilib
+
+SRC="ftp://ftp.ccp4.ac.uk/ccp4"
+
+MY_PN="ccp4"
+MY_P="${MY_PN}-${PV}"
+PATCHDATE="04_03_09"
+DESCRIPTION="Protein X-ray crystallography toolkit, graphical interface"
+HOMEPAGE="http://www.ccp4.ac.uk/"
+RESTRICT="mirror"
+SRC_URI="${SRC}/${PV}/${MY_P}-core-src.tar.gz
+	${SRC}/${PV}/updates/${MY_P}-src-patch-${PATCHDATE}.tar.gz"
+LICENSE="ccp4"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+RDEPEND=">=dev-lang/tk-8.3
+	 >=dev-tcltk/blt-2.4
+	 app-shells/tcsh"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}/${MY_P}"
+
+src_unpack() {
+	unpack ${A}
+	cd "${S}"
+
+	# conflicts w/ coreutils
+	epatch "${FILESDIR}"/${PV}-rename-truncate.patch
+
+	epatch "${FILESDIR}"/${PV}-rename-rapper.patch
+
+	epatch "${FILESDIR}"/${PV}-refmac.tcl.patch
+
+	sed -i \
+		-e "s:share smartie:share ccp4 smartie:g" \
+		"${S}"/ccp4i/imosflm/src/processingwizard.tcl
+}
+
+src_compile() {
+	:
+}
+
+src_install() {
+	# CCP4Interface - GUI
+	insinto /usr/$(get_libdir)/ccp4
+	doins -r "${S}"/ccp4i || die
+	exeinto /usr/$(get_libdir)/ccp4/ccp4i/bin
+	doexe "${S}"/ccp4i/bin/* || die
+
+	# dbccp4i
+	insinto /usr/share/ccp4
+	doins -r "${S}"/share/dbccp4i || die
+}
diff --git a/sci-chemistry/ccp4i/files/6.1.1-refmac.tcl.patch b/sci-chemistry/ccp4i/files/6.1.1-refmac.tcl.patch
new file mode 100644
index 000000000..6d9ed4ca9
--- /dev/null
+++ b/sci-chemistry/ccp4i/files/6.1.1-refmac.tcl.patch
@@ -0,0 +1,59 @@
+--- ccp4i/tasks/refmac5.tcl	2009-03-13 08:53:52.000000000 +0100
++++ ccp4i/tasks/refmac5.tcl.new	2009-03-27 08:40:49.093519853 +0100
+@@ -6,7 +6,7 @@
+ #     A copy of the CCP4 licence can be obtained by writing to the
+ #     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
+ #
+-#CCP4i_cvs_Id $Id: refmac5.tcl,v 1.59.2.7 2009/02/02 14:25:03 nds65 Exp $
++#CCP4i_cvs_Id $Id: refmac5.tcl,v 1.59.2.11 2009/03/26 17:02:41 rmk65 Exp $
+ # ======================================================================
+ # refmac.tcl --
+ #
+@@ -48,6 +48,22 @@
+       WarningMessage "Input Warning: DelFwt map name not specified. Will use default file name."
+     }
+   }
++  
++  # Check to see if need FREER column but it has not been set
++  if { $array(EXCLUDE_FREER) } {
++    if { $array(FREE) == "Unassigned" || $array(FREE) == "" } {
++      WarningMessage "Free R label has not been set."
++      return 0
++    }
++  }
++  
++  if { $array(MLSC_REF_SET) == "free" } {
++    if { $array(FREE) == "Unassigned" || $array(FREE) == "" } {
++      WarningMessage "You are using free reflections to fit SigmaA but Free R label not set."
++      return 0
++    }
++  }
++    
+ 
+   if { $array(MAKE_LIBRARY) != "" } { 
+     append array(INPUT_FILES) " MAKE_LIBRARY" }
+@@ -612,6 +628,24 @@
+ # If XYZIN set e.g. re-running then initialise chain list
+   refmac_update_chain_menu $arrayname
+ 
++# catch for ATOM compatibility between 6.1.0 and 6.1.1
++  catch {
++  if { $array(ATOM) != "" } {
++    set array(NATOMS) 1
++    set array(ATOM,1) $array(ATOM)
++    set array(ATOM_FP,1) $array(ATOM_FP)
++    set array(ATOM_FPP,1) $array(ATOM_FPP)
++#   set array(ATOM,0) $array(ATOM)
++#   set array(ATOM_FP,0) $array(ATOM_FP)
++#   set array(ATOM_FPP,0) $array(ATOM_FPP)
++    }
++    unset array(ATOM)
++    unset array(ATOM_FP)
++    unset array(ATOM_FPP)
++# have to update PARAM_LIST element too, this may need watching
++    regsub -all -- {ATOM ATOM_FP ATOM_FPP} $array(PARAM_LIST) { } array(PARAM_LIST)
++  }
++
+   set array(IFMAPNAME) $preferences(IFMAPNAME)
+ 
+   # See if Coot package installed and available