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quantum_package/setup_environment.sh

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#!/bin/bash
#
# Setup script. Downloads dependencies if they are not already present
# in the current installation.
# Thu Oct 23 22:02:08 CEST 2014
BLUE=""
RED=""
BLACK="(B"
QPACKAGE_ROOT=${PWD}
if [[ -z ${IRPF90} ]] ;
then
make irpf90
IRPF90=${QPACKAGE_ROOT}/bin/irpf90
if [[ ! -x ${IRPF90} ]]
then
echo $RED "Error in IRPF90 installation" $BLACK
exit 1
fi
fi
cat << EOF > quantum_package.rc
export IRPF90=${IRPF90}
export QPACKAGE_ROOT=${QPACKAGE_ROOT}
export PYTHONPATH=\${PYTHONPATH}:\${QPACKAGE_ROOT}/scripts
export PATH=\${PATH}:\${QPACKAGE_ROOT}/scripts
export PATH=\${PATH}:\${QPACKAGE_ROOT}/bin
export PATH=\${PATH}:\${QPACKAGE_ROOT}/ocaml
export QPACKAGE_CACHE_URL="http://qmcchem.ups-tlse.fr/files/scemama/quantum_package/cache"
source \${QPACKAGE_ROOT}/bin/irpman > /dev/null
EOF
source quantum_package.rc
make EZFIO
if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
then
echo $RED "Error in IRPF90 installation" $BLACK
exit 1
fi
make ocaml
if [[ ! -f ${QPACKAGE_ROOT}/ocaml/Qptypes.ml ]]
then
echo $RED "Error in ocaml installation" $BLACK
exit 1
fi
echo $RED "
=======================================================
To complete the installation, add the following line to
your ~/.bashrc:
source quantum_package.rc
=======================================================
" $BLACK
source quantum_package.rc
exec bash