some more small changes, including bug fix in configure + relative linking in Makefile for spectral solver

DAMASK_env.sh

@@ -6,6 +6,7 @@ if [ "$OSTYPE" == "linux-gnu" ] || [ "$OSTYPE" == 'linux' ]
 else
   STAT=$(stat "`dirname $BASH_SOURCE`")
   DAMASK_ROOT=${STAT##* }
+  unset STAT
 fi
 
 if [ -f $HOME/.damask/damask.conf ]; then
@@ -14,14 +15,6 @@ else
    source /etc/damask.conf
 fi
 
-if [ "x$DAMASK_NUM_THREADS" != "x" ] 
-  then export DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS
-fi
-
-if [ "x$F90" != "x" ] 
-  then export F90=$F90
-fi
-
 # disable output in case of scp
 if [ ! -z "$PS1" ]; then
   echo
@@ -29,13 +22,27 @@ if [ ! -z "$PS1" ]; then
   echo Max-Planck-Institut für Eisenforschung, Düsseldorf
   echo http://damask.mpie.de
   echo
-  echo Preparing environment ...
+  echo Using environment with ...
   echo "DAMASK installation in $DAMASK_ROOT"
   echo "DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
   echo "F90=$F90"
+  echo "FFTW_ROOT=$FFTW_ROOT"
+  if [ "x$LAPACK_ROOT" != "x" ]; then
+      echo "LAPACK_ROOT=$LAPACK_ROOT"
+  fi
+  if [ "x$ACML_ROOT" != "x" ]; then
+      echo "ACML_ROOT=$ACML_ROOT"
+  fi
+  if [ "x$IMKL_ROOT" != "x" ]; then
+      echo "IMKL_ROOT=$IMKL_ROOT"
+  fi
+  echo "MARC_ROOT=$MARC_ROOT"
+  echo "HDF5_ROOT=$HDF5_ROOT (future use)"
 fi
 ulimit -s unlimited
 ulimit -c 0
 ulimit -v unlimited
 ulimit -m unlimited
 export PYTHONPATH=$PYTHONPATH:$DAMASK_ROOT/lib
+unset DAMASK_ROOT
+

code/Makefile

@@ -46,7 +46,7 @@ COMPILERNAME ?= $(F90)
 
 INCLUDE_DIRS :=-I../lib
 LIBRARIES :=-lfftw3
-LIB_DIRS  :=-L$(FFTW_ROOT)/lib
+LIB_DIRS  :=-L$$FFTW_ROOT/lib
 
 ifeq "$(FASTBUILD)" "YES"
 OPENMP := OFF
@@ -94,16 +94,16 @@ IMKL_ARCH =_sequential
 endif
 
 ifneq  "x$(IMKL_ROOT)" "x"
-LIB_DIRS  :=-L$(IMKL_ROOT)/lib/intel64
+LIB_DIRS  :=-L$$IMKL_ROOT/lib/intel64
 INCLUDE_DIRS +=-I$(IMKL_ROOT)/include
 LIBRARIES +=-lmkl_intel_lp64 -lmkl_core -lmkl$(ACML_ARCH) -lm -lpthread -liomp5
 else
 ifneq  "x$(ACML_ROOT)" "x"
-LIB_DIRS  +=-L$(ACML_ROOT)/$(F90)64$(ACML_ARCH)/lib
+LIB_DIRS  +=-L$$ACML_ROOT/$(F90)64$(ACML_ARCH)/lib
 LIBRARIES +=-lacml$(ACML_ARCH)
 else
 ifneq  "x$(LAPACK_ROOT)" "x"
-LIB_DIRS  +=-L$(LAPACK_ROOT)/lib64 -L$(LAPACK_ROOT)/lib
+LIB_DIRS  +=-L$$LAPACK_ROOT/lib64 -L$$LAPACK_ROOT/lib
 LIBRARIES +=-llapack
 endif
 endif
@@ -115,7 +115,7 @@ endif
 #hdf5
 ifeq "$(HDF5)" "ON"
 LIBRARIES +=-lhdf5hl_fortran -lhdf5_hl -lhdf5_fortran -lhdf5
-LIB_DIRS  +=-L$(HDF5ROOT)/lib
+LIB_DIRS  +=-L$$HDF5ROOT/lib
 INCLUDE_DIRS +=-I$(HDF5ROOT)/include -DHDF
 endif
 

configure

@@ -232,7 +232,7 @@ for opt, value in options.__dict__.items():
   if opt == 'threads' and value !='':
     output.append('DAMASK_NUM_THREADS=%s\n'%value)
   if opt == 'blasType' and value !='':
-    output.append('%s_ROOT=%s\n'%(blasType,options.blasRoot))
+    output.append('%s_ROOT=%s\n'%(options.blasType,options.blasRoot))
 
 for spectralOption in options.spectraloptions:
   output.append(spectralOption+'\n')

installation/compile_CoreModule.py

@@ -32,11 +32,11 @@ compileCommand = {
 
 # see http://cens.ioc.ee/pipermail/f2py-users/2003-December/000621.html
 if   options['IMKL_ROOT'] != '' and options['F90'] != 'gfortran':
-  lib_lapack = '-L%s/lib/intel64 -I%s/include -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -lpthread -lm -liomp5'%(options['IMKL_ROOT'],options['IMKL_ROOT'])
+  lib_lapack = '-L$IMKL_ROOT/lib/intel64 -I%s/include -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -lpthread -lm -liomp5'%options['IMKL_ROOT']
 elif options['ACML_ROOT'] != '':
-  lib_lapack = '-L%s/%s64/lib -lacml'%(options['ACML_ROOT'],options['F90'])
+  lib_lapack = '-L$ACML/%s64/lib -lacml'%options['F90']
 elif options['LAPACK_ROOT'] != '':
-  lib_lapack = '-L%s/lib -L%s/lib64 -llapack'%(options['LAPACK_ROOT'],options['LAPACK_ROOT'])                                                     
+  lib_lapack = '-L$LAPACK_ROOT/lib -L$LAPACK_ROOT/lib64 -llapack'                                                   
 
 os.chdir(codeDir)                                                                           # needed for compilation with gfortran and f2py
 try:
@@ -66,7 +66,7 @@ cmd = 'f2py damask.core.pyf' +\
       ' FEsolving.f90'+\
       ' mesh.f90'+\
       ' core_quit.f90'+\
-      ' -L%s/lib -lfftw3'%(options['FFTW_ROOT'])+\
+      ' -L$FFTW_ROOT/lib -lfftw3'+\
       ' %s'%lib_lapack
 
 print('Executing: '+cmd)