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Группа :: Науки/Химия
Пакет: abinit

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Патч: abinit-gfortran.patch
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diff -ru abinit-4.6.5.orig/makearch abinit-4.6.5/makearch
--- abinit-4.6.5.orig/makearch	2005-10-27 18:01:46 +0300
+++ abinit-4.6.5/makearch	2006-07-09 13:02:34 +0300
@@ -195,14 +195,16 @@
 # Compilation from fortran source files
 .f.o:
 	-rm -f \$*_cpp.f
-	\$(CPP)  \$(CPP_OPTS) \$(CPP_FLAGS) \$? > \$*_cpp.f
+	cp \$*.f \$*.F
+	\$(CPP)  \$(CPP_OPTS) \$(CPP_FLAGS) \$*.F > \$*_cpp.f && rm -f \$*.F
 	\$(FC_LIBS) \$(FFLAGS_LIBS) -c \$*_cpp.f 
 	-mv \$*_cpp.o \$*.o
 	if [ \$(RM_CPP) = yes ] ; then rm -f \$*_cpp.f ; fi
 
 .f.par:
 	-rm -f \$*.par.f
-	\$(CPP) \$(CPP_OPTS) \$(CPP_FLAGS) \$(CPP_MPI) \$? > \$*.par.f
+	cp \$*.f \$*.F
+	\$(CPP) \$(CPP_OPTS) \$(CPP_FLAGS) \$(CPP_MPI) \$*.F > \$*.par.f && rm -f \$*.F
 	\$(FC_LIBS) \$(FFLAGS_PAR) -c \$*.par.f
 	-mv \$*.par.o \$*.par
 	if [ \$(RM_CPP) = yes ] ; then rm -f \$*.par.f ; fi
diff -ru abinit-4.6.5.orig/makefile_macros abinit-4.6.5/makefile_macros
--- abinit-4.6.5.orig/makefile_macros	2006-07-09 13:28:25 +0300
+++ abinit-4.6.5/makefile_macros	2006-07-09 12:12:35 +0300
@@ -0,0 +1,61 @@
+
+# This file contains the definitions needed for every possible script
+# to be used with the ABINIT makefiles.  It is very much machine-dependent.
+# It is read by makemake and makearch.
+
+# This file from MMikami.
+# see http://www.intel.com/software/products/compilers/flin/noncom.htm
+
+# In this file, the blas library is linked in the same way as the other
+# libraries (lapack, ffts, numrecip).
+
+# Explanations about this file can be found in the  makefile_macros_help file,
+# in the Infos subdirectory
+
+####################################################################
+# For the sequential version 
+
+# Machine type
+MACHINE=P6
+# Fortran optimized compilation
+FC=gfortran
+FFLAGS=-O3
+FFLAGS_LIBS= $(FFLAGS)
+
+#LAPACK=-llapack_atlas
+#BLAS=-lblas
+NETCDF=-lnetcdf
+#LIBS=$(LAPACK) $(BLAS) -L/opt/intel_fc_80/lib/ -lsvml -lcxa -Vaxlib -static
+
+# C preprocessor, used to preprocess the fortran source.
+CPP=gfortran -E
+CPP_FLAGS=-P
+# The cpp directive CHGSTDIO changes the standard I/O definition
+# Uncomment the next line for this to happen.
+#CPP_FLAGS=-P -DCHGSTDIO 
+
+# C optimized compilation.
+CC=gcc
+CFLAGS= $(FFLAGS)
+
+# Location of perl . Used to generate the script fldiff, in ~ABINIT/Utilities .
+PERL=/usr/bin/perl
+
+# List of machine-dependent routines
+MACHINE_DEP_C_SEQ_SUBS_LIST=etime.o
+
+####################################################################
+# For the parallel version : MPICH / MYRINET
+
+# Compiler flags and definitions
+FFLAGS_PAR= $(FFLAGS) -I /usr/local/mpi-intel/include
+
+# List of machine-dependent routines
+MACHINE_DEP_C_PAR_SUBS_LIST=etime.par
+
+# Location of the MPI library
+MPI_A=/usr/local/mpi-intel/lib/libmpich.a /usr/local/mpi-intel/lib/libfmpich.a -Vaxlib
+# Include blas, lapack, and any other libraries here
+ LIBS_PAR=$(LIBS) $(MPI_A)
+
+# This is a last line in makefile_macros ----------
 
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