mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-02 11:25:26 +02:00
41 lines
861 B
Bash
Executable File
41 lines
861 B
Bash
Executable File
#!/bin/bash
|
|
#
|
|
# Setup script. Downloads IRPF90 and EZFIO if they are not already present in the current
|
|
# installation.
|
|
# Mon Apr 7 15:41:19 CEST 2014
|
|
|
|
QPACKAGE_ROOT=${PWD}
|
|
|
|
IRPF90=$(which irpf90)
|
|
|
|
if [[ -z ${IRPF90} ]] ;
|
|
then
|
|
make irpf90
|
|
IRPF90=${QPACKAGE_ROOT}/irpf90/bin/irpf90
|
|
if [[ ! -x ${QPACKAGE_ROOT}/irpf90/bin/irpf90 ]]
|
|
then
|
|
echo "Error in IRPF90 installation"
|
|
exit 1
|
|
fi
|
|
fi
|
|
|
|
cat << EOF > quantum_package.rc
|
|
export IRPF90=${IRPF90}
|
|
export QPACKAGE_ROOT=${QPACKAGE_ROOT}
|
|
export PATH+=:\${QPACKAGE_ROOT}/scripts
|
|
export PATH+=:\${QPACKAGE_ROOT}/bin
|
|
export QPACKAGE_CACHE_URL="http://qmcchem.ups-tlse.fr/files/scemama/quantum_package/cache/"
|
|
EOF
|
|
|
|
source quantum_package.rc
|
|
if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
|
|
then
|
|
make EZFIO
|
|
fi
|
|
|
|
if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
|
|
then
|
|
echo "Error in IRPF90 installation"
|
|
exit 1
|
|
fi
|