130 lines
3.4 KiB
Bash
Executable File
130 lines
3.4 KiB
Bash
Executable File
#!/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="[34m"
|
||
RED="[31m"
|
||
BLACK="(B[m"
|
||
|
||
QPACKAGE_ROOT="$( cd "$(dirname "$BASH_SOURCE")" ; pwd -P )"
|
||
|
||
|
||
cat << EOF > quantum_package.rc
|
||
export IRPF90="${IRPF90}"
|
||
export QPACKAGE_ROOT=\$( cd \$(dirname "\${BASH_SOURCE}") ; pwd -P )
|
||
export LD_LIBRARY_PATH="\${QPACKAGE_ROOT}"/lib:\${LD_LIBRARY_PATH}
|
||
export LIBRARY_PATH="\${QPACKAGE_ROOT}"/lib:\${LIBRARY_PATH}
|
||
export C_INCLUDE_PATH="\${QPACKAGE_ROOT}"/include:\${C_INCLUDE_PATH}
|
||
export PYTHONPATH=\${PYTHONPATH}:"\${QPACKAGE_ROOT}"/scripts:"\${QPACKAGE_ROOT}"/scripts/ezfio_interface
|
||
export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/scripts:"\${QPACKAGE_ROOT}"/scripts/ezfio_interface
|
||
export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/bin
|
||
export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/ocaml
|
||
source "\${QPACKAGE_ROOT}"/bin/irpman &> /dev/null
|
||
EOF
|
||
|
||
|
||
source quantum_package.rc
|
||
|
||
echo "${BLUE}===== Installing IRPF90 ===== ${BLACK}"
|
||
${QPACKAGE_ROOT}/scripts/install_irpf90.sh | tee install_irpf90.log
|
||
if [[ ! -d ${QPACKAGE_ROOT}/irpf90 ]]
|
||
then
|
||
echo $RED "Error in IRPF90 installation" $BLACK
|
||
exit 1
|
||
fi
|
||
|
||
if [[ ! -x ${QPACKAGE_ROOT}/bin/irpf90 ]]
|
||
then
|
||
echo $RED "Error in IRPF90 installation" $BLACK
|
||
exit 1
|
||
fi
|
||
|
||
if [[ ! -x ${QPACKAGE_ROOT}/bin/irpman ]]
|
||
then
|
||
echo $RED "Error in IRPF90 installation" $BLACK
|
||
exit 1
|
||
fi
|
||
|
||
|
||
echo "${BLUE}===== Installing EZFIO ===== ${BLACK}"
|
||
${QPACKAGE_ROOT}/scripts/install_ezfio.sh | tee install_ezfio.log
|
||
|
||
if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
|
||
then
|
||
echo $RED "Error in EZFIO installation" $BLACK
|
||
exit 1
|
||
fi
|
||
|
||
|
||
echo "${BLUE}===== Installing Zlib ===== ${BLACK}"
|
||
${QPACKAGE_ROOT}/scripts/install_zlib.sh | tee install_zlib.log
|
||
|
||
echo "${BLUE}===== Installing Curl ===== ${BLACK}"
|
||
${QPACKAGE_ROOT}/scripts/install_curl.sh | tee install_curl.log
|
||
|
||
echo "${BLUE}===== Installing M4 ===== ${BLACK}"
|
||
${QPACKAGE_ROOT}/scripts/install_m4.sh | tee install_m4.log
|
||
|
||
echo "${BLUE}===== Installing EMSL Basis set library ===== ${BLACK}"
|
||
${QPACKAGE_ROOT}/scripts/install_emsl.sh | tee install_emsl.log
|
||
|
||
if [[ ! -d ${QPACKAGE_ROOT}/EMSL_Basis ]]
|
||
then
|
||
echo $RED "Error in EMSL Basis set library installation" $BLACK
|
||
exit 1
|
||
fi
|
||
|
||
echo "${BLUE}===== Installing EZFIO ===== ${BLACK}"
|
||
|
||
${QPACKAGE_ROOT}/scripts/install_ezfio.sh | tee install_ezfio.log
|
||
if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
|
||
then
|
||
echo $RED "Error in EZFIO installation" $BLACK
|
||
exit 1
|
||
fi
|
||
|
||
|
||
echo "${BLUE}===== Installing Ocaml compiler and libraries ===== ${BLACK}"
|
||
rm -f -- ocaml/Qptypes.ml
|
||
${QPACKAGE_ROOT}/scripts/install_ocaml.sh | tee install_ocaml.log
|
||
|
||
if [[ ! -f ${QPACKAGE_ROOT}/ocaml/Qptypes.ml ]]
|
||
then
|
||
echo $RED "Error in Ocaml installation" $BLACK
|
||
exit 1
|
||
fi
|
||
|
||
echo "${BLUE}===== Installing resultsFile Python library ===== ${BLACK}"
|
||
${QPACKAGE_ROOT}/scripts/install_resultsFile.sh
|
||
if [[ ! -d ${QPACKAGE_ROOT}/resultsFile ]]
|
||
then
|
||
echo $RED "Error in resultsFile installation" $BLACK
|
||
exit 1
|
||
fi
|
||
|
||
|
||
echo $RED "
|
||
=======================================================
|
||
To complete the installation, add the following line to
|
||
your ~/.bashrc:
|
||
|
||
source ${QPACKAGE_ROOT}/quantum_package.rc
|
||
|
||
=======================================================
|
||
" $BLACK
|
||
|
||
|
||
mkdir -p ${QPACKAGE_ROOT}/install_logs
|
||
mv ${QPACKAGE_ROOT}/*.log ${QPACKAGE_ROOT}/install_logs/
|
||
|
||
if [[ $1 == "--robot" ]] ;
|
||
then
|
||
exit 0
|
||
else
|
||
source quantum_package.rc
|
||
exec bash
|
||
fi
|
||
|