diff -ruN refmac5.8-orig/gibbs_gm_sampler.f90 refmac5.8/gibbs_gm_sampler.f90 --- refmac5.8-orig/gibbs_gm_sampler.f90 2014-10-06 16:19:13.000000000 -0500 +++ refmac5.8/gibbs_gm_sampler.f90 2020-01-17 05:57:26.000000000 -0600 @@ -53,7 +53,7 @@ integer, allocatable :: iuniform(:) real runiform integer isize,clock - integer vals(8),puts(12) + integer vals(8),puts(33) logical first ! ! More locals @@ -100,7 +100,7 @@ !call date_and_time(values=vals) !call random_seed(put=vals(8:8)) call system_clock(count=clock) - puts = clock + 37*(/(i - 1, i = 1, 12) /) + puts = clock + 37*(/(i - 1, i = 1, 33) /) call random_seed(put=puts) ! call random_seed(size=isize) ! write(*,*)isize diff -ruN refmac5.8-orig/makefile refmac5.8/makefile --- refmac5.8-orig/makefile 2014-10-06 16:47:05.000000000 -0700 +++ refmac5.8/makefile 2014-10-06 17:44:18.000000000 -0700 @@ -1,31 +1,26 @@ -VERSION = gfortran -FC = gfortran -CC = gcc -CPP = g++ -FOPTIM = -O2 -COPTIM = -O2 -XFFLAGS = -fno-second-underscore -static -CLIB = /usr/lib -#ATLASLIB = /home/matem/Scaricati/lapack-3.3.1 -ATLASLIB = /usr/lib/lapack-3.4.2/ - -XCFLAGS = -DGFORTRAN -DPROTOTYPE -FFLAGS = $(FOPTIM) $(XFFLAGS) -CFLAGS = $(COPTIM) $(XCFLAGS) +VERSION = 5 +# FC = @FINKPREFIX@/lib/gcc9/bin/gfortran +# CC = @FINKPREFIX@/lib/gcc9/bin/gcc-4 +# CXX = @FINKPREFIX@/lib/gcc9/bin/g++-4 +# CPP = @FINKPREFIX@/lib/gcc9/bin/g++-4 +FOPTIM = -O3 +COPTIM = -O +XFFLAGS = -m64 -fno-second-underscore -fallow-argument-mismatch +XCFLAGS = -DGFORTRAN -DPROTOTYPE +FFLAGS = $(FOPTIM) $(XFFLAGS) +CFLAGS = $(COPTIM) $(XCFLAGS) CPPFLAGS = $(CFLAGS) +CLIB = @FINKPREFIX@/lib -LLIBCIF = -LLIBCCP = $(CLIB)/libccp4f.a $(CLIB)/libccp4c.a -#LLIBLAPACK = $(CLIB)/liblapack.a $(CLIB)/libblas.a -#LLIBLAPACK = $(ATLASLIB)/lapack.a $(ATLASLIB)/blas.a -LLIBLAPACK = $(ATLASLIB)/liblapack.a $(ATLASLIB)/librefblas.a -LLIBOTHERS = -lgfortran -lgfortranbegin -lstdc++ +# ATLASLIB = /home/matem/Scaricati/lapack-3.3.1 +# ATLASLIB = /usr/lib/lapack-3.4.2/ +BLAS_DIR = /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A -include makefile_refmac.inc1 -#include makefile_nmr_test.inc +LLIBCCP = /usr/lib/libSystem.B.dylib ${BLAS_DIR}/libBLAS.dylib ${BLAS_DIR}/libLAPACK.dylib + +LLIBLAPACK = +LLIBOTHERS = -L/usr/lib -L${CLIB} -L@FINKPREFIX@/lib/gcc9/lib -lgfortran ${CLIB}/libccp4c.dylib ${CLIB}/libccp4f.dylib -lfftw @FINKPREFIX@/lib/libfftw.dylib @FINKPREFIX@/lib/librfftw.dylib -lstdc++ /usr/lib/libSystem.B.dylib -lSystem -lm -lc++ -# per le versioni dei file, modifica il numero e la data nel file makecif_version.fh -# poi comprimi con -# tar cvfz refmac5.8_v0001.tar.gz *.f *.fh *.f90 *.c *.cpp *.h makefile* +include makefile_refmac.inc1