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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,117 @@ | ||
diff --git a/src/amber-modules/amber.module.in b/src/amber-modules/amber.module.in | ||
index 2d5a1ef..b6399b7 100644 | ||
--- a/src/amber-modules/amber.module.in | ||
+++ b/src/amber-modules/amber.module.in | ||
@@ -7,17 +7,17 @@ | ||
proc ModulesHelp { } { | ||
global amberversion | ||
|
||
- puts stderr "\tAmber Tools from /opt/amber/@COMPILERNAME@/@ROLLNETWORK@" | ||
+ puts stderr "\tGaMD patched Amber Tools from /opt/amberGaMD/@COMPILERNAME@/@ROLLNETWORK@" | ||
puts stderr "\tAmber Toolkit Version $amberversion\n" | ||
} | ||
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||
-module-whatis "Amber Toolkit Version @VERSION@" | ||
+module-whatis "GaMD patched Amber Toolkit Version @VERSION@" | ||
module-whatis "Compiled with @COMPILERNAME@ compiler" | ||
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# for Tcl script use only | ||
set amberversion @VERSION@ | ||
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-set amberHome /opt/amber/@COMPILERNAME@/@ROLLNETWORK@ | ||
+set amberHome /opt/amberGaMD/@COMPILERNAME@/@ROLLNETWORK@ | ||
setenv AMBERHOME $amberHome | ||
prepend-path PATH $amberHome/bin | ||
prepend-path LD_LIBRARY_PATH $amberHome/lib | ||
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||
diff --git a/src/amber-modules/version.mk b/src/amber-modules/version.mk | ||
index aaa0f1c..2d416e1 100644 | ||
--- a/src/amber-modules/version.mk | ||
+++ b/src/amber-modules/version.mk | ||
@@ -23,9 +23,9 @@ VERSION.MK.MASTER.DIR = ../amber | ||
VERSION.MK.INCLUDE = amber.version.mk | ||
include $(VERSION.MK.INCLUDE) | ||
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-PACKAGE = amber | ||
+PACKAGE = amberGaMD | ||
CATEGORY = applications | ||
-NAME = amber-module-$(COMPILERNAME)-$(ROLLNETWORK) | ||
+NAME = amberGaMD-module-$(COMPILERNAME)-$(ROLLNETWORK) | ||
RELEASE = 0 | ||
PKGROOT = /opt/modulefiles/$(CATEGORY)/$(PACKAGE)$(VERSION) | ||
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diff --git a/src/amber/Makefile b/src/amber/Makefile | ||
index 6363d5a..fbeb2a9 100644 | ||
--- a/src/amber/Makefile | ||
+++ b/src/amber/Makefile | ||
@@ -42,6 +42,7 @@ build: | ||
export AMBERHOME=`pwd`/$(SOURCE_DIR); \ | ||
cd $${AMBERHOME}; pwd ; \ | ||
./update_amber --update ; \ | ||
+ patch -p0 < ../amber14_GaMD_patch_confidential.txt ; \ | ||
./configure $(ROLLCOMPILER); \ | ||
make -j8 install; make clean; \ | ||
./configure -mpi $(ROLLCOMPILER); \ | ||
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||
diff --git a/src/amber/version.mk b/src/amber/version.mk | ||
index e5177ba..fb8972c 100644 | ||
--- a/src/amber/version.mk | ||
+++ b/src/amber/version.mk | ||
@@ -8,7 +8,7 @@ ifndef ROLLNETWORK | ||
ROLLNETWORK = eth | ||
endif | ||
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||
-NAME = amber-$(COMPILERNAME)-$(ROLLNETWORK) | ||
+NAME = amberGaMD-$(COMPILERNAME)-$(ROLLNETWORK) | ||
VERSION = 14 | ||
RELEASE = 0 | ||
SUFFIX = tar.bz2 | ||
@@ -22,7 +22,7 @@ TOOLSVERSION = 15 | ||
TOOLS_PKG = $(TOOLS_NAME)$(TOOLSVERSION).$(SUFFIX) | ||
TOOLS_DIR = $(TOOLS_PKG:%.$(SUFFIX)=%) | ||
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-PKGROOT = /opt/amber/$(COMPILERNAME)/$(ROLLNETWORK) | ||
+PKGROOT = /opt/amberGaMD/$(COMPILERNAME)/$(ROLLNETWORK) | ||
CUDAHOME = /opt/cuda | ||
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RPM.EXTRAS = AutoReq:No | ||
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diff --git a/version.mk b/version.mk | ||
index e940c46..f98e27a 100644 | ||
--- a/version.mk | ||
+++ b/version.mk | ||
@@ -1,4 +1,4 @@ | ||
-ROLLNAME = amber | ||
+ROLLNAME = amberGaMD | ||
RELEASE = 0 | ||
COLOR = DarkTurquoise | ||
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||
--- amber-common.xml.in 2015-11-06 13:10:46.860867993 -0800 | ||
+++ amberGaMD-common.xml.in 2015-09-16 09:13:49.198369090 -0700 | ||
@@ -15,9 +15,8 @@ | ||
<changelog> | ||
</changelog> | ||
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||
- <package>amber-ROLLCOMPILER-ROLLNETWORK</package> | ||
- <package>amber-module-ROLLCOMPILER-ROLLNETWORK</package> | ||
- <package>amber-roll-test</package> | ||
+ <package>amberGaMD-ROLLCOMPILER-ROLLNETWORK</package> | ||
+ <package>amberGaMD-module-ROLLCOMPILER-ROLLNETWORK</package> | ||
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<post> | ||
</post> | ||
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--- amber.xml 2015-11-06 13:11:12.969386574 -0800 | ||
+++ amberGaMD.xml 2015-09-16 10:21:23.816037723 -0700 | ||
@@ -15,9 +15,9 @@ | ||
<changelog> | ||
</changelog> | ||
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||
- <edge from="base" to="amber-common"/> | ||
+ <edge from="base" to="amberGaMD-common"/> | ||
<order head="base"> | ||
- <tail>amber-common</tail> | ||
+ <tail>amberGaMD-common</tail> | ||
</order> | ||
|
||
</graph> |
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