simple installation fail


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Just Got Here
4:03:21 PM PDT - Wed, Jul 25th 2012
fixed issue
It was very simple.
You must make sure that your install directory is nwchem-6.1.1 so i renamed the
directory containing the src directory to /home/jlamber9/nwchem-6.1.1 from /home/jlamber9/nwchem.
(If i did not make that change in the first place it would have installed)

The following script compiled correctly after that change

  1. !bin/bash

  1. set directory variables
export NWCHEM_TOP=/home/jlamber9/nwchem-6.1.1
export NWCHEM_TARGET=LINUX64
  1. echo "NWCHEM_TOP=$NWCHEM_TOP"
  2. echo "NWCHEM_TARGET=$NWCHEM_TARGET"

export NWCHEM_MODULES=all
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
    1. export LIB_DEFINES=-DDFLT_TOT_MEM=16777216
  2. echo "NWCHEM_MODULES=$NWCHEM_MODULES"
  3. echo "LARGE_FILES=$LARGE_FILES"
  4. echo "LARGE_FILES=$LARGE_FILES"
  5. echo "LIB_DEFINES=$LIB_DEFINES"

  1. export PYTHONHOME=/usr/bin/
  2. export PYTHONVERSION=2.7
  3. export USE_PYTHON64=y
  4. export PYTHONLIBTYPE=so
  5. echo "PYTHONHOME=$PYTHONHOME"
  6. echo "PYTHONVERSION=$PYTHONVERSION"
  7. echo "USE_PYTHON64=$PYTHON64"
  8. echo "PYTHONLIBTYPE=$PYTHONLIBTYPE"

export FC=gfortran
export CC=gcc

  1. make realclean
cd $NWCHEM_TOP/src
make nwchem_config
make FC=$FC CC=$CC