more work on new installation

DAMASK_env.sh

@@ -4,6 +4,7 @@ FFTWROOT=/usr/local
 LAPACKROOT=/usr
 ACMLROOT=
 IMKLROOT=
+DAMASKFORTRAN=gfortran
 
 if [ "$OSTYPE" == "linux-gnu" ]
   then LOCATION=$(readlink -f "`dirname $BASH_SOURCE`")
@@ -27,6 +28,10 @@ if [ "x$IMKLROOT" != "x" ]
   then export IMKLROOT=${IMKLROOT}
 fi
 
+if [ "x$DAMASKFORTRAN" != "x" ] 
+  then export F90=$DAMASKFORTRAN
+fi
+
 # disable output in case of scp
 if [ ! -z "$PS1" ]; then
   echo
@@ -37,6 +42,7 @@ if [ ! -z "$PS1" ]; then
   echo Preparing environment ...
   echo "DAMASK_ROOT=$DAMASK_ROOT"
   echo "DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
+  echo "F90=$F90"
   echo "prepending to LD_LIBRARY_PATH: $LD_NEW"
 fi
 ulimit -s unlimited

configure

@@ -1,16 +1,49 @@
 #!/usr/bin/env python
 import os,re,subprocess,sys
 import damask
+########################################################
+# MAIN
+########################################################
 
-damaskEnv = damask.Environment()          # script location relative to root
+parser = OptionParser(option_class=extendableOption, usage='%prog options', description = """
-baseDir = damaskEnv.relPath('code/')
+Sets up the pre and post processing tools of DAMASK
 
-# basic idea: try to get the specific locations from:
+""" + string.replace('$Id$','\n','\\n')
-# 1) command line option
+)
-# 2) envinronment variable
-# 3) for F90: autodetect
 
-# then call the respective scripts with their options
+compilers = ['ifort','gfortran']
+
+parser.add_option('--F90',          dest='compiler', type='string', \
+                                    help='name of F90 [%default]')
+parser.add_option('--FFTWROOT',     dest='fftwroot', type='string', \
+                                    help='root location of FFTW [%default]')
+parser.add_option('--LAPACKROOT',   dest='lapackroot', type='string', \
+                                    help='root location of LAPACK [%default]')
+parser.add_option('--ACMLROOT',     dest='acmlroot', type='string', \
+                                    help='root location of ACML [%default]')
+parser.add_option('--IMKLROOT',     dest='imklroot', type='string', \
+                                    help='root location of IMKL [%default]')
+
+parser.set_defaults(compiler   = {True:os.getenv('F90'),False:''}\
+                                  [os.getenv('F90')!=None])
+parser.set_defaults(fftwroot   = {True:os.getenv('FFTWROOT'),False:''}\
+                                  [os.getenv('FFTWROOT')!=None])
+parser.set_defaults(lapackroot = {True:os.getenv('LAPACKROOT'),False:''}\
+                                  [os.getenv('LAPACKROOT')!=None])
+parser.set_defaults(acmlroot   = {True:os.getenv('ACMLROOT'),False:''}\
+                                  [os.getenv('ACMLROOT')!=None])
+parser.set_defaults(imklroot   = {True:os.getenv('IMKLROOT'),False:''}\
+                                  [os.getenv('IMKLROOT')!=None])
+
+(options,filenames) = parser.parse_args()
+
+if options.compiler not in compilers:
+  parser.error('compiler switch "F90" has to be one out of: %s'%(', '.join(compilers)))
+
+f2py_compiler = {
+                  'gfortran': 'gnu95   --f90flags="-fPIC -fno-range-check -xf95-cpp-input -std=f2008 -fall-intrinsics -DSpectral -fdefault-real-8 -fdefault-double-8 -DFLOAT=8 -DINT=4 -I${DAMASK_ROOT}/lib"',
+                  'ifort':    'intelem --f90flags="-fPIC -fpp -stand f08 -diag-disable 5268 -assume byterecl -DSpectral -real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 -I${DAMASK_ROOT}/lib"',
+                }[options.compiler]
 
 # changing dirs and compiler in makefile
 compiler ={True:'ifort',False:'gfortran'}[\

installation/compile_CoreModule.py

@@ -39,16 +39,28 @@ Sets up the pre and post processing tools of DAMASK
 
 compilers = ['ifort','gfortran']
 
-parser.add_option('F90',          dest='compiler', type='string', \
+parser.add_option('--F90',          dest='compiler', type='string', \
-                                  help='name of F90 [%default]')
+                                    help='name of F90 [%default]')
-parser.add_option('LAPACKROOT',   dest='lapackroot', type='string', \
+parser.add_option('--FFTWROOT',     dest='fftwroot', type='string', \
-                                  help='name of F90 [%default]')
+                                    help='root location of FFTW [%default]')
-parser.add_option('ACMLROOT',     dest='acmlroot', type='string', \
+parser.add_option('--LAPACKROOT',   dest='lapackroot', type='string', \
-                                  help='name of F90 [%default]')
+                                    help='root location of LAPACK [%default]')
-parser.add_option('IMKLROOT',     dest='imklroot', type='string', \
+parser.add_option('--ACMLROOT',     dest='acmlroot', type='string', \
-                                  help='name of F90 [%default]')
+                                    help='root location of ACML [%default]')
-parser.add_option('FFTWROOT',     dest='fftwroot', type='string', \
+parser.add_option('--IMKLROOT',     dest='imklroot', type='string', \
-                                  help='name of F90 [%default]')
+                                    help='root location of IMKL [%default]')
+
+parser.set_defaults(compiler   = {True:os.getenv('F90'),False:''}\
+                                  [os.getenv('F90')!=None])
+parser.set_defaults(fftwroot   = {True:os.getenv('FFTWROOT'),False:''}\
+                                  [os.getenv('FFTWROOT')!=None])
+parser.set_defaults(lapackroot = {True:os.getenv('LAPACKROOT'),False:''}\
+                                  [os.getenv('LAPACKROOT')!=None])
+parser.set_defaults(acmlroot   = {True:os.getenv('ACMLROOT'),False:''}\
+                                  [os.getenv('ACMLROOT')!=None])
+parser.set_defaults(imklroot   = {True:os.getenv('IMKLROOT'),False:''}\
+                                  [os.getenv('IMKLROOT')!=None])
+
 (options,filenames) = parser.parse_args()
 
 if options.compiler not in compilers:
@@ -63,10 +75,10 @@ damaskEnv = Environment()
 baseDir = damaskEnv.relPath('installation/')
 codeDir = damaskEnv.relPath('code/')
 
-if   options.imklroot= '' and options.compiler != 'gfortran':
+if   options.imklroot != '' and options.compiler != 'gfortran':
   lib_lapack = '-L%s/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lpthread -lm'%(options.imklroot)
-elif options.acmlroot= '':
+elif options.acmlroot != '':
-  lib_lapack = '-L%s/%s64/lib -lacml'%(options.acmlroot,compiler)
+  lib_lapack = '-L%s/%s64/lib -lacml'%(options.acmlroot,options.compiler)
 elif options.lapackroot != '':
   lib_lapack = '-L%s -llapack'%(options.lapack)                                                     # see http://cens.ioc.ee/pipermail/f2py-users/2003-December/000621.html