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authorV3n3RiX <venerix@redcorelinux.org>2017-10-09 18:53:29 +0100
committerV3n3RiX <venerix@redcorelinux.org>2017-10-09 18:53:29 +0100
commit4f2d7949f03e1c198bc888f2d05f421d35c57e21 (patch)
treeba5f07bf3f9d22d82e54a462313f5d244036c768 /sci-libs/rosetta-fragments/files/rosetta-fragments-3.1-chemshift.patch
reinit the tree, so we can have metadata
Diffstat (limited to 'sci-libs/rosetta-fragments/files/rosetta-fragments-3.1-chemshift.patch')
-rw-r--r--sci-libs/rosetta-fragments/files/rosetta-fragments-3.1-chemshift.patch62
1 files changed, 62 insertions, 0 deletions
diff --git a/sci-libs/rosetta-fragments/files/rosetta-fragments-3.1-chemshift.patch b/sci-libs/rosetta-fragments/files/rosetta-fragments-3.1-chemshift.patch
new file mode 100644
index 000000000000..cb8fd9197d1b
--- /dev/null
+++ b/sci-libs/rosetta-fragments/files/rosetta-fragments-3.1-chemshift.patch
@@ -0,0 +1,62 @@
+ chemshift/make.system | 24 ++++++++++++------------
+ chemshift/makefile | 2 +-
+ 2 files changed, 13 insertions(+), 13 deletions(-)
+
+diff --git a/chemshift/make.system b/chemshift/make.system
+index 53bbd38..d105802 100644
+--- a/chemshift/make.system
++++ b/chemshift/make.system
+@@ -60,18 +60,18 @@ endif
+ ########## once COMPILER is set, here are the options
+
+ # defaults
+-F77=f77
+-FFLAGS=
+-FOPTIMFLAGS=-O
+-FDEBUGFLAGS=-g
++F77?=f77
++FFLAGS?=
++FOPTIMFLAGS?=
++FDEBUGFLAGS?=
+ FPROFILEFLAGS=-P
+
+ ifeq ($(COMPILER),gnu)
+- F77 = g77
+- FFLAGS = -finline-functions -funroll-loops -W -ffixed-line-length-132 -Wimplicit
+- FOPTIMFLAGS = -O -ffast-math -malign-double
+- FDEBUGFLAGS = -g -Wall -Wimplicit -Wsurprising -Wformat -W
+- FPROFILEFLAGS = -pg
++ F77 ?= g77
++ FFLAGS += -W -ffixed-line-length-132 -Wimplicit
++ FOPTIMFLAGS += -malign-double
++ FDEBUGFLAGS += -Wall -Wimplicit -Wsurprising -Wformat -W
++ FPROFILEFLAGS =
+ endif
+
+ ifeq ($(COMPILER),pgi) # on mary, good bounds checking
+@@ -108,9 +108,9 @@ endif
+
+ # Suse ppc gnu
+ ifeq ($(COMPILER),ppc)
+- F77 = g77
+- FFLAGS = -Wall -finline-functions -funroll-loops -W -ffixed-line-length-132
+- FDEBUGFLAGS = -g -C -Mbounds
++ F77 ?= g77
++ FFLAGS += -Wall -W -ffixed-line-length-132
++ FDEBUGFLAGS += -C -Mbounds
+ FOPTIMFLAGS =
+ endif
+
+diff --git a/chemshift/makefile b/chemshift/makefile
+index 712e98f..05d3b64 100644
+--- a/chemshift/makefile
++++ b/chemshift/makefile
+@@ -64,7 +64,7 @@ regular: compile
+ # rule to compile executable
+ compile: $(BASE_NAME).$(COMPILER)
+ $(BASE_NAME).$(COMPILER) : print ${OBJS}
+- $(F77) $(FFLAGS) -o $@ $(OBJS) $(LINKFLAGS)
++ $(F77) $(FFLAGS) $(LDFLAGS) -o $@ $(OBJS) $(LINKFLAGS)
+
+ # rule to compile object files:
+ .$(COMPILER).%.o: %.f