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authorJustin Lecher <jlec@gentoo.org>2010-04-25 12:32:54 +0000
committerJustin Lecher <jlec@gentoo.org>2010-04-25 12:32:54 +0000
commit2a16e4674dcd1a081d529b7455ef0295ffa1479b (patch)
treeb325559362789fda7d0ab5fdb28389e78f99b07a /sci-chemistry/ccp4i
parentzlib now breaks capture, bug 316835, thank Richard and Alexander E. Patrakov... (diff)
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Fixes missing renames, thanks Johan Hattne for giving the patches, #314053
(Portage version: 2.2_rc67/cvs/Linux x86_64)
Diffstat (limited to 'sci-chemistry/ccp4i')
-rw-r--r--sci-chemistry/ccp4i/ChangeLog10
-rw-r--r--sci-chemistry/ccp4i/ccp4i-6.1.3-r2.ebuild (renamed from sci-chemistry/ccp4i/ccp4i-6.1.3-r1.ebuild)2
-rw-r--r--sci-chemistry/ccp4i/files/6.1.3-rename-rapper.patch55
-rw-r--r--sci-chemistry/ccp4i/files/6.1.3-rename-superpose.patch20
-rw-r--r--sci-chemistry/ccp4i/files/6.1.3-rename-truncate.patch95
5 files changed, 161 insertions, 21 deletions
diff --git a/sci-chemistry/ccp4i/ChangeLog b/sci-chemistry/ccp4i/ChangeLog
index a94d1b5c294d..4451beec803f 100644
--- a/sci-chemistry/ccp4i/ChangeLog
+++ b/sci-chemistry/ccp4i/ChangeLog
@@ -1,6 +1,14 @@
# ChangeLog for sci-chemistry/ccp4i
# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ccp4i/ChangeLog,v 1.3 2010/04/22 20:19:04 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ccp4i/ChangeLog,v 1.4 2010/04/25 12:32:54 jlec Exp $
+
+*ccp4i-6.1.3-r2 (25 Apr 2010)
+
+ 25 Apr 2010; Justin Lecher <jlec@gentoo.org>
+ files/6.1.3-rename-rapper.patch, +ccp4i-6.1.3-r2.ebuild,
+ files/6.1.3-rename-superpose.patch, files/6.1.3-rename-truncate.patch,
+ -ccp4i-6.1.3-r1.ebuild:
+ Fixes missing renames, thanks Johan Hattne for giving the patches, #314053
22 Apr 2010; Justin Lecher <jlec@gentoo.org> ccp4i-6.1.3-r1.ebuild:
Fixes for Python ABIs, keyworded for *-linux
diff --git a/sci-chemistry/ccp4i/ccp4i-6.1.3-r1.ebuild b/sci-chemistry/ccp4i/ccp4i-6.1.3-r2.ebuild
index e87fe0e6c742..b1b6bd1bb5fc 100644
--- a/sci-chemistry/ccp4i/ccp4i-6.1.3-r1.ebuild
+++ b/sci-chemistry/ccp4i/ccp4i-6.1.3-r2.ebuild
@@ -1,6 +1,6 @@
# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ccp4i/ccp4i-6.1.3-r1.ebuild,v 1.3 2010/04/22 22:22:43 arfrever Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ccp4i/ccp4i-6.1.3-r2.ebuild,v 1.1 2010/04/25 12:32:54 jlec Exp $
EAPI="2"
PYTHON_DEPEND="2"
diff --git a/sci-chemistry/ccp4i/files/6.1.3-rename-rapper.patch b/sci-chemistry/ccp4i/files/6.1.3-rename-rapper.patch
index a50ae6dbd648..9f5cfb4b635f 100644
--- a/sci-chemistry/ccp4i/files/6.1.3-rename-rapper.patch
+++ b/sci-chemistry/ccp4i/files/6.1.3-rename-rapper.patch
@@ -1,5 +1,20 @@
---- ccp4i/scripts/rapper.script 2009-02-03 11:49:50.000000000 +0100
-+++ ccp4i/scripts/rapper.script.new 2009-03-12 23:34:47.000000000 +0100
+diff --git a/ccp4i/scripts/check.script b/ccp4i/scripts/check.script
+index def44bc..dd4bb7e 100755
+--- a/ccp4i/scripts/check.script
++++ b/ccp4i/scripts/check.script
+@@ -24,7 +24,7 @@
+ if $RUN_RAMPAGE {
+
+ # Generate command line
+- set cmd "[BinPath rapper]"
++ set cmd "[BinPath rappermc]"
+
+ set rapperdatadir [FileJoin [GetEnvPath CCP4] share rapper]
+ set paramsfile [FileJoin $rapperdatadir params.xml]
+diff --git a/ccp4i/scripts/rapper.script b/ccp4i/scripts/rapper.script
+index cdae1e2..faae226 100755
+--- a/ccp4i/scripts/rapper.script
++++ b/ccp4i/scripts/rapper.script
@@ -17,7 +17,7 @@
#set up command line
@@ -9,4 +24,38 @@
set rapperdatadir [FileJoin [GetEnvPath CCP4] share rapper]
set paramsfile [FileJoin [GetEnvPath CCP4] share rapper params.xml]
-
+@@ -180,7 +180,7 @@ append outfiles " $XYZOUT PROJECT"
+
+ # Run RAPPER to join loop back to framework and out put to defined pdb file
+ # Also need to sort out multimodel files join - FIX ME
+-set cmd2 "[BinPath rapper]"
++set cmd2 "[BinPath rappermc]"
+ append cmd2 " $paramsfile joinpdb "
+ append cmd2 " --pdb2 \"$root\-loop.pdb\" "
+ append cmd2 " --pdb \"$root\-framework.pdb\" "
+diff --git a/ccp4i/tasks/check.tcl b/ccp4i/tasks/check.tcl
+index ae88ff2..ee3307b 100755
+--- a/ccp4i/tasks/check.tcl
++++ b/ccp4i/tasks/check.tcl
+@@ -46,7 +46,7 @@ proc check_run { arrayname } {
+ # Check for Rampage program. If it is not found, we switch off the option.
+ # If it was the only option, script will fail with next check.
+ if { $array(RUN_RAMPAGE) == 1 } {
+- if { [FindExecutable "rapper"] == "" } {
++ if { [FindExecutable "rappermc"] == "" } {
+ WarningMessage "Input Error: Rapper_Rampage program not found in system path."
+ set array(RUN_RAMPAGE) 0
+ }
+diff --git a/ccp4i/tasks/rapper.tcl b/ccp4i/tasks/rapper.tcl
+index e299057..8843a3f 100755
+--- a/ccp4i/tasks/rapper.tcl
++++ b/ccp4i/tasks/rapper.tcl
+@@ -28,7 +28,7 @@ proc rapper_run { arrayname } {
+ # Check for RAPPER program. If it is not found, we switch off the option.
+ # If it was the only option, script will fail with next check.
+ if { [regexp MODEL $build_type ] && $prog_type == "RAPPER"} {
+- if { [FindExecutable "rapper"] == "" } {
++ if { [FindExecutable "rappermc"] == "" } {
+ WarningMessage "Input Error: RAPPER program not found in system path."
+ set build_type 0
+ }
diff --git a/sci-chemistry/ccp4i/files/6.1.3-rename-superpose.patch b/sci-chemistry/ccp4i/files/6.1.3-rename-superpose.patch
index 90480eb8e381..74cd2b946601 100644
--- a/sci-chemistry/ccp4i/files/6.1.3-rename-superpose.patch
+++ b/sci-chemistry/ccp4i/files/6.1.3-rename-superpose.patch
@@ -1,6 +1,7 @@
-diff -arNu ccp4-6.1.1/ccp4i/scripts/superpose.script ccp4-6.1.1.new/ccp4i/scripts/superpose.script
---- ccp4-6.1.1/ccp4i/scripts/superpose.script 2006-07-26 16:22:49.000000000 +0200
-+++ ccp4-6.1.1.new/ccp4i/scripts/superpose.script 2009-07-05 22:11:59.000000000 +0200
+diff --git a/ccp4i/scripts/superpose.script b/ccp4i/scripts/superpose.script
+index 3483c97..5027536 100755
+--- a/ccp4i/scripts/superpose.script
++++ b/ccp4i/scripts/superpose.script
@@ -21,7 +21,7 @@
if { [regexp SSM $SUPERPOSE_MODE ] } {
@@ -10,3 +11,16 @@ diff -arNu ccp4-6.1.1/ccp4i/scripts/superpose.script ccp4-6.1.1.new/ccp4i/script
set status [Execute $cmd "" program_status report ]
} elseif { [regexp TOP $SUPERPOSE_MODE ] } {
+diff --git a/ccp4i/tasks/superpose.tcl b/ccp4i/tasks/superpose.tcl
+index 748bf6e..c92122a 100755
+--- a/ccp4i/tasks/superpose.tcl
++++ b/ccp4i/tasks/superpose.tcl
+@@ -100,7 +100,7 @@ proc superpose_run { arrayname } {
+ # If user is match equivalent named residues/atoms then fit in the match fields
+ switch [GetValue $arrayname SUPERPOSE_MODE] \
+ SSM {
+- if { ![file exists [FindExecutable superpose]] } {
++ if { ![file exists [FindExecutable superpose-ccp4]] } {
+ WarningMessage "The program \"superpose\" is not on your path.
+ Check your installation for \"superpose\" program and \"ssm\" library."
+ return 0
diff --git a/sci-chemistry/ccp4i/files/6.1.3-rename-truncate.patch b/sci-chemistry/ccp4i/files/6.1.3-rename-truncate.patch
index 26f1cda3e381..9af60b7c5152 100644
--- a/sci-chemistry/ccp4i/files/6.1.3-rename-truncate.patch
+++ b/sci-chemistry/ccp4i/files/6.1.3-rename-truncate.patch
@@ -1,16 +1,85 @@
---- ./ccp4i/templates/truncate.com.orig 2009-03-02 23:31:04.000000000 -0800
-+++ ./ccp4i/templates/truncate.com 2009-03-02 23:31:08.000000000 -0800
-@@ -11,7 +11,7 @@
- $SYMMETRY symmetry $SPACE_GROUP
- $CELL cell $CELL_1 $CELL_2 $CELL_3 $CELL_4 $CELL_5 $CELL_6
-
--1 truncate
-+1 ftruncate
- - { [StringSame $APPLY_TRUNCATE "WILSON" ] } YES | NO
- {[IfSet $ANOMALOUS]} anomalous
- - $ANOMALOUS YES | NO
---- ./ccp4i/scripts/truncate.script.orig 2009-03-02 23:39:04.000000000 -0800
-+++ ./ccp4i/scripts/truncate.script 2009-03-02 23:39:41.000000000 -0800
+diff --git a/ccp4i/crank/plugins/prep/crank_prep.tcl b/ccp4i/crank/plugins/prep/crank_prep.tcl
+index 7d05905..d01f1dc 100755
+--- a/ccp4i/crank/plugins/prep/crank_prep.tcl
++++ b/ccp4i/crank/plugins/prep/crank_prep.tcl
+@@ -226,7 +226,7 @@ proc run_truncate { i j } {
+ set script "$script\n$labout"
+ set script "$script\nEND\n"
+
+- set run_command "truncate $command << \"$script\""
++ set run_command "ftruncate $command << \"$script\""
+ puts $run_command
+ catch {eval exec $run_command } output
+ puts $output
+diff --git a/ccp4i/scripts/dtrek2mtz.script b/ccp4i/scripts/dtrek2mtz.script
+index e74aa0d..a2a1adb 100755
+--- a/ccp4i/scripts/dtrek2mtz.script
++++ b/ccp4i/scripts/dtrek2mtz.script
+@@ -36,7 +36,7 @@
+ set HKL_TRUNCATE [GetTmpFileName -ext mtz]
+
+ CreateComScript truncate truncate_script
+- set cmd "[BinPath truncate] HKLIN \"$HKLTMP\" HKLOUT \"$HKL_TRUNCATE\""
++ set cmd "[BinPath ftruncate] HKLIN \"$HKLTMP\" HKLOUT \"$HKL_TRUNCATE\""
+ set status [Execute $cmd $truncate_script program_status report]
+
+ HandleHarvestFile $HARVEST_MODE $HARVEST_PNAME $HARVEST_DNAME truncate
+diff --git a/ccp4i/scripts/import.script b/ccp4i/scripts/import.script
+index 90cba83..1c90c33 100755
+--- a/ccp4i/scripts/import.script
++++ b/ccp4i/scripts/import.script
+@@ -144,7 +144,7 @@ if { $FORMAT == "MTZ" } {
+
+ set truncatemtz [GetTmpFileName -ext mtz ]
+ CreateComScript truncate truncate_script
+- set cmd "[BinPath truncate] HKLIN \"$tmpmtz\" HKLOUT \"$truncatemtz\""
++ set cmd "[BinPath ftruncate] HKLIN \"$tmpmtz\" HKLOUT \"$truncatemtz\""
+ set status [Execute $cmd $truncate_script program_status report]
+
+
+diff --git a/ccp4i/scripts/import_scaled.script b/ccp4i/scripts/import_scaled.script
+index dcc619b..7250513 100755
+--- a/ccp4i/scripts/import_scaled.script
++++ b/ccp4i/scripts/import_scaled.script
+@@ -62,7 +62,7 @@
+
+ } else {
+ CreateComScript truncate truncate_script
+- set cmd "[BinPath truncate] HKLIN \"$HKLTMP\" HKLOUT \"$HKL_TRUNCATE\""
++ set cmd "[BinPath ftruncate] HKLIN \"$HKLTMP\" HKLOUT \"$HKL_TRUNCATE\""
+ set status [Execute $cmd $truncate_script program_status report]
+
+ HandleHarvestFile $HARVEST_MODE $HARVEST_PNAME $HARVEST_DNAME truncate
+diff --git a/ccp4i/scripts/scala.script b/ccp4i/scripts/scala.script
+index 6940ccd..bde10d6 100755
+--- a/ccp4i/scripts/scala.script
++++ b/ccp4i/scripts/scala.script
+@@ -275,7 +275,7 @@ END"
+
+ } else {
+ CreateComScript truncate truncate_script
+- set cmd "[BinPath truncate] HKLIN \"$HKLTMP\" HKLOUT \"$HKL_TRUNCATE\""
++ set cmd "[BinPath ftruncate] HKLIN \"$HKLTMP\" HKLOUT \"$HKL_TRUNCATE\""
+ set status [Execute $cmd $truncate_script $LOG_FILE program_status report ]
+ }
+
+diff --git a/ccp4i/scripts/scalepack2mtz.script b/ccp4i/scripts/scalepack2mtz.script
+index 986e06c..a1947a6 100755
+--- a/ccp4i/scripts/scalepack2mtz.script
++++ b/ccp4i/scripts/scalepack2mtz.script
+@@ -35,7 +35,7 @@
+
+ set HKL_TRUNCATE [GetTmpFileName -ext mtz]
+ CreateComScript truncate truncate_script
+- set cmd "[BinPath truncate] HKLIN \"$HKLTMP\" HKLOUT \"$HKL_TRUNCATE\""
++ set cmd "[BinPath ftruncate] HKLIN \"$HKLTMP\" HKLOUT \"$HKL_TRUNCATE\""
+ set status [Execute $cmd $truncate_script program_status report]
+
+ HandleHarvestFile $HARVEST_MODE $HARVEST_PNAME $HARVEST_DNAME truncate
+diff --git a/ccp4i/scripts/truncate.script b/ccp4i/scripts/truncate.script
+index e0e09ce..2d448a2 100755
+--- a/ccp4i/scripts/truncate.script
++++ b/ccp4i/scripts/truncate.script
@@ -45,7 +45,7 @@
CreateComScript truncate truncate_script