File: setupenv

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gpaw 25.7.0-1
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#!/bin/bash
export EXTERNALDIR=/nfs/slac/g/suncatfs/sw/external
export NUMPYDIR=${EXTERNALDIR}/numpy/1.4.1/install/lib64/python2.4/site-packages
export SCIPYDIR=${EXTERNALDIR}/scipy/0.7.0/install/lib64/python2.4/site-packages
export ASEBASE=${EXTERNALDIR}/ase/3.5.0.1919/install
export ASEDIR=${ASEBASE}/lib/python2.4/site-packages
export INTELDIR=/afs/slac/package/intel_tools/2011u8
export MKLDIR=${INTELDIR}/mkl/lib/intel64
export OPENMPIDIR=${EXTERNALDIR}/intel11.1/openmpi/1.4.3/install

export MKL_THREADING_LAYER=MKL_THREADING_SEQUENTIAL

export OMP_NUM_THREADS=1
export INSTALLDIR=${GPAW_HOME}/install
export PYTHONPATH=${ASEDIR}:${SCIPYDIR}:${NUMPYDIR}:${INSTALLDIR}/lib64/python
export PATH=/bin:/usr/bin:${OPENMPIDIR}/bin:${INTELDIR}/bin:${INSTALLDIR}/bin:${ASEBASE}/bin
export LD_LIBRARY_PATH=${INSTALLDIR}/lib:${MKLDIR}:${INTELDIR}/lib/intel64:${OPENMPIDIR}/lib:${MKLDIR}/../32
export GPAW_SETUP_PATH=${EXTERNALDIR}/gpaw-setups-0.6.6300