nwchem: add another patch
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@ -0,0 +1,40 @@
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Index: src/config/makefile.h
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===================================================================
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--- src/config/makefile.h (revision 28470)
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+++ src/config/makefile.h (revision 28471)
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@@ -910,6 +910,7 @@
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GNUMINOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | egrep __VERS | cut -c24)
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GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
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GNU_GE_4_8 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 8 \) ] && echo true)
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+ GNU_GE_6 = $(shell [ $(GNUMAJOR) -ge 6 ] && echo true)
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endif
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ifeq ($(GNU_GE_4_6),true)
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DEFINES += -DGCC46
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@@ -921,6 +922,9 @@
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FOPTIONS += -Warray-bounds
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endif
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+ ifeq ($(GNU_GE_6),true)
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+ FOPTIMIZE += -fno-tree-dominator-opts # solvation/hnd_cosmo_lib breaks
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+ endif
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ifdef USE_OPENMP
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FOPTIONS += -fopenmp
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LDOPTIONS += -fopenmp
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@@ -1067,6 +1071,7 @@
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GNUMINOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | egrep __VERS | cut -c24)
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GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
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GNU_GE_4_8 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 8 \) ] && echo true)
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+ GNU_GE_6 = $(shell [ $(GNUMAJOR) -ge 6 ] && echo true)
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ifeq ($(GNU_GE_4_6),true)
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DEFINES += -DGCC46
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endif
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@@ -1076,6 +1081,9 @@
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#gone FFLAGS_FORGA += -fno-aggressive-loop-optimizations
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FOPTIONS += -Warray-bounds
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endif # GNU_GE_4_8
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+ ifeq ($(GNU_GE_6),true)
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+ FOPTIMIZE += -fno-tree-dominator-opts # solvation/hnd_cosmo_lib breaks
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+ endif
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endif # GNUMAJOR
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ifdef USE_OPENMP
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@ -62,6 +62,7 @@ class Nwchem(Package):
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patch('Util_getppn.patch', when='@6.6', level=0)
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patch('xccvs98.patch', when='@6.6', level=0)
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patch('zgesdv.patch', when='@6.6', level=0)
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patch('Gcc6_macs_optfix.patch', when='@6.6', level=0)
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def install(self, spec, prefix):
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# see http://www.nwchem-sw.org/index.php/Compiling_NWChem
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