mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-13 00:43:39 +01:00
399 lines
10 KiB
Bash
Executable File
399 lines
10 KiB
Bash
Executable File
#!/bin/bash
|
|
#
|
|
# Quantum Package configuration script
|
|
#
|
|
|
|
|
|
export QP_ROOT="$( cd "$(dirname "$0")" ; pwd -P )"
|
|
echo "QP_ROOT="$QP_ROOT
|
|
unset CC
|
|
unset CCXX
|
|
|
|
# Force GCC instead of ICC for dependencies
|
|
export CC=gcc
|
|
|
|
# Download submodules
|
|
git submodule init
|
|
git submodule update
|
|
|
|
function help()
|
|
{
|
|
cat <<EOF
|
|
Quantum Package configuration script.
|
|
|
|
Usage:
|
|
$(basename $0) -c <file>
|
|
$(basename $0) -h
|
|
$(basename $0) -i <package>
|
|
|
|
Options:
|
|
-c <file> Define a COMPILATION configuration file,
|
|
in "${QP_ROOT}/config/".
|
|
-h Print the HELP message
|
|
-i <package> INSTALL <package>. Use at your OWN RISK:
|
|
no support will be provided for the installation of
|
|
dependencies.
|
|
|
|
Example:
|
|
./$(basename $0) -c config/gfortran.cfg
|
|
|
|
Note:
|
|
Users are encouraged to create their own configuration files instead of
|
|
modifying the existing ones.
|
|
|
|
EOF
|
|
exit
|
|
}
|
|
|
|
function error() {
|
|
>&2 echo "$(basename $0): $@"
|
|
exit 2
|
|
}
|
|
|
|
function execute () {
|
|
local _command
|
|
echo "Executing:"
|
|
while read -r line; do
|
|
echo " " $line
|
|
_command+="${line} ;"
|
|
done
|
|
sleep 1
|
|
echo ""
|
|
printf "\e[0;94m"
|
|
( eval "set -x ; $_command set +x" ) || exit -1
|
|
printf "\e[m"
|
|
echo ""
|
|
}
|
|
|
|
PACKAGES=""
|
|
|
|
|
|
while getopts "d:c:i:h" c ; do
|
|
case "$c" in
|
|
c)
|
|
case "$OPTARG" in
|
|
"") help ; break;;
|
|
*) if [[ -f $OPTARG ]] ; then
|
|
CONFIG="$OPTARG"
|
|
else
|
|
error "error: configuration file $OPTARG not found."
|
|
exit 1
|
|
fi
|
|
esac;;
|
|
i)
|
|
case "$OPTARG" in
|
|
"") help ; break;;
|
|
*) PACKAGES="${PACKAGE} $OPTARG"
|
|
esac;;
|
|
h)
|
|
help
|
|
exit 0;;
|
|
*)
|
|
error $(basename $0)": unknown option $c, try -h for help"
|
|
exit 2;;
|
|
esac
|
|
done
|
|
|
|
# Trim leading and trailing spaces
|
|
PACKAGES=$(echo $PACKAGES | xargs)
|
|
|
|
echo "export QP_ROOT=\"$QP_ROOT\"" > ${QP_ROOT}/etc/00.qp_root.rc
|
|
|
|
source quantum_package.rc
|
|
|
|
|
|
|
|
function fail() {
|
|
echo "You can try to install it using the -i option."
|
|
echo "Please refer to INSTALL.rst to install the missing dependencies."
|
|
exit -1
|
|
}
|
|
|
|
function success() {
|
|
echo ""
|
|
echo "Configuration successful."
|
|
exit 0
|
|
}
|
|
|
|
function not_found() {
|
|
echo 'not_found'
|
|
}
|
|
|
|
function find_exe() {
|
|
which $1 2> /dev/null || not_found
|
|
}
|
|
|
|
function find_python_lib() {
|
|
python3 -c "import $1" &> /dev/null && echo "$1" || not_found
|
|
}
|
|
|
|
function find_lib() {
|
|
echo "int main() { return 0; }" > "${QP_ROOT}"/external/tmp.c
|
|
gcc $@ "${QP_ROOT}"/external/tmp.c -o "${QP_ROOT}"/external/tmp.exe 2> /dev/null
|
|
if [[ -x "${QP_ROOT}"/external/tmp.exe ]] ; then
|
|
rm "${QP_ROOT}"/external/tmp.exe "${QP_ROOT}"/external/tmp.c
|
|
echo "$lib"
|
|
else
|
|
rm "${QP_ROOT}"/external/tmp.c
|
|
not_found
|
|
fi
|
|
}
|
|
|
|
function find_dir() {
|
|
if [[ -d $1 ]] ; then
|
|
echo "$1"
|
|
else
|
|
not_found
|
|
fi
|
|
}
|
|
|
|
# Make program believe stdin is a tty
|
|
function faketty() {
|
|
script -qfc "$(printf "%q " "$@")" /dev/null
|
|
}
|
|
|
|
# Install IRPF90 if needed
|
|
IRPF90=$(find_exe irpf90)
|
|
if [[ ${IRPF90} = $(not_found) ]] ; then
|
|
make -C ${QP_ROOT}/external/irpf90
|
|
fi
|
|
|
|
|
|
|
|
if [[ "${PACKAGES}.x" != ".x" ]] ; then
|
|
printf "\e[0;31m"
|
|
echo ""
|
|
echo "#########################################################"
|
|
echo "# #"
|
|
echo "# Automatic installation of dependencies #"
|
|
echo "# #"
|
|
echo "# USE AT YOUR OWN RISK : #"
|
|
echo "# No support will be provided by the quantum package #"
|
|
echo "# developers for the installation of external software. #"
|
|
echo "# #"
|
|
echo "# You may refer to the INSTALL.rst file for help. #"
|
|
echo "# #"
|
|
echo "#########################################################"
|
|
printf "\e[m"
|
|
echo ""
|
|
sleep 1
|
|
fi
|
|
|
|
if [[ ${PACKAGES} = all ]] ; then
|
|
PACKAGES="zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats bse"
|
|
fi
|
|
|
|
|
|
for PACKAGE in ${PACKAGES} ; do
|
|
|
|
if [[ ${PACKAGE} = ninja ]] ; then
|
|
|
|
execute << EOF
|
|
rm -f "\${QP_ROOT}"/bin/ninja
|
|
unzip "\${QP_ROOT}"/external/qp2-dependencies/ninja-linux.zip -d "\${QP_ROOT}"/bin
|
|
EOF
|
|
|
|
|
|
elif [[ ${PACKAGE} = gmp ]] ; then
|
|
|
|
execute << EOF
|
|
cd "\${QP_ROOT}"/external
|
|
tar --bzip2 --extract --file qp2-dependencies/gmp-6.1.2.tar.bz2
|
|
cd gmp-6.1.2
|
|
./configure --prefix=$QP_ROOT && make -j 8
|
|
make -j 8 install
|
|
EOF
|
|
|
|
elif [[ ${PACKAGE} = zeromq ]] ; then
|
|
|
|
execute << EOF
|
|
export CC=gcc
|
|
export CXX=g++
|
|
cd "\${QP_ROOT}"/external
|
|
tar --gunzip --extract --file qp2-dependencies/zeromq-4.2.5.tar.gz
|
|
cd zeromq-*
|
|
./configure --prefix="\$QP_ROOT" --without-libsodium --enable-libunwind=no
|
|
make -j 8
|
|
make install
|
|
EOF
|
|
|
|
|
|
elif [[ ${PACKAGE} = f77zmq ]] ; then
|
|
|
|
execute << EOF
|
|
cd "\${QP_ROOT}"/external
|
|
tar --gunzip --extract --file qp2-dependencies/f77-zmq-4.3.2.tar.gz
|
|
cd f77-zmq-*
|
|
./configure --prefix=\$QP_ROOT
|
|
export ZMQ_H="\$QP_ROOT"/include/zmq.h
|
|
make && make check && make install
|
|
EOF
|
|
|
|
|
|
elif [[ ${PACKAGE} = ocaml ]] ; then
|
|
|
|
execute <<EOF
|
|
source "${QP_ROOT}"/quantum_package.rc
|
|
cd "${QP_ROOT}"/external/
|
|
tar --gunzip --extract --file qp2-dependencies/ocaml-bundle_x86.tar.gz
|
|
echo "" | ./ocaml-bundle/bootstrap.sh "${QP_ROOT}"
|
|
./ocaml-bundle/configure.sh "${QP_ROOT}"
|
|
echo "" | ./ocaml-bundle/compile.sh "${QP_ROOT}"
|
|
EOF
|
|
|
|
elif [[ ${PACKAGE} = bse ]] ; then
|
|
|
|
execute << EOF
|
|
cd "\${QP_ROOT}"/external
|
|
tar --gunzip --extract --file qp2-dependencies/bse-v0.8.11.tar.gz
|
|
python3 -m pip install -e basis_set_exchange-*
|
|
EOF
|
|
|
|
elif [[ ${PACKAGE} = zlib ]] ; then
|
|
|
|
execute << EOF
|
|
cd "\${QP_ROOT}"/external
|
|
tar --gunzip --extract --file qp2-dependencies/zlib-1.2.11.tar.gz
|
|
cd zlib-*/
|
|
./configure --prefix=${QP_ROOT} && \
|
|
make && make install
|
|
EOF
|
|
|
|
|
|
elif [[ ${PACKAGE} = docopt ]] ; then
|
|
|
|
execute << EOF
|
|
cd "\${QP_ROOT}"/external
|
|
tar --gunzip --extract --file qp2-dependencies/docopt-0.6.2.tar.gz
|
|
mv docopt-*/docopt.py "\${QP_ROOT}/external/Python"
|
|
EOF
|
|
|
|
|
|
elif [[ ${PACKAGE} = resultsFile ]] ; then
|
|
|
|
execute << EOF
|
|
cd "\${QP_ROOT}"/external
|
|
tar --gunzip --extract --file qp2-dependencies/resultsFile-v2.3.tar.gz
|
|
mv resultsFile-*/resultsFile "\${QP_ROOT}/external/Python/"
|
|
EOF
|
|
|
|
elif [[ ${PACKAGE} = bats ]] ; then
|
|
|
|
execute << EOF
|
|
cd "\${QP_ROOT}"/external
|
|
tar -zxf qp2-dependencies/bats-v1.7.0.tar.gz
|
|
( cd bats-core-1.7.0/ ; ./install.sh \${QP_ROOT})
|
|
EOF
|
|
|
|
else
|
|
error "${PACKAGE} unknown."
|
|
fail
|
|
fi
|
|
|
|
|
|
done
|
|
|
|
source quantum_package.rc
|
|
|
|
NINJA=$(find_exe ninja)
|
|
if [[ ${NINJA} = $(not_found) ]] ; then
|
|
error "Ninja (ninja) is not installed."
|
|
fail
|
|
fi
|
|
|
|
ZEROMQ=$(find_lib -lzmq)
|
|
if [[ ${ZEROMQ} = $(not_found) ]] ; then
|
|
|
|
MAKE=$(find_exe make)
|
|
if [[ ${MAKE} = $(not_found) ]] ; then
|
|
error "make is not installed."
|
|
fail
|
|
fi
|
|
|
|
M4=$(find_exe autoreconf)
|
|
if [[ ${M4} = $(not_found) ]] ; then
|
|
error "autoreconf is not installed."
|
|
fail
|
|
fi
|
|
|
|
M4=$(find_exe m4)
|
|
if [[ ${M4} = $(not_found) ]] ; then
|
|
error "m4 preprocesssor is not installed."
|
|
fail
|
|
fi
|
|
|
|
error "ZeroMQ (zeromq) is not installed."
|
|
fail
|
|
fi
|
|
|
|
F77ZMQ=$(find_lib -lzmq -lf77zmq -lpthread)
|
|
if [[ ${F77ZMQ} = $(not_found) ]] ; then
|
|
error "Fortran binding of ZeroMQ (f77zmq) is not installed."
|
|
fail
|
|
fi
|
|
|
|
GMP=$(find_lib -lgmp)
|
|
if [[ ${ZLIB} = $(not_found) ]] ; then
|
|
error "GMP (gmp) is not installed."
|
|
fail
|
|
fi
|
|
|
|
OCAML=$(find_exe ocaml)
|
|
if [[ ${OCAML} = $(not_found) ]] ; then
|
|
error "OCaml (ocaml) compiler is not installed."
|
|
fail
|
|
fi
|
|
|
|
ZLIB=$(find_lib -lz)
|
|
if [[ ${ZLIB} = $(not_found) ]] ; then
|
|
error "Zlib (zlib) is not installed."
|
|
fail
|
|
fi
|
|
|
|
DOCOPT=$(find_python_lib docopt)
|
|
if [[ ${DOCOPT} = $(not_found) ]] ; then
|
|
error "docopt (docopt) is not installed."
|
|
fail
|
|
fi
|
|
|
|
RESULTSFILE=$(find_python_lib resultsFile)
|
|
if [[ ${RESULTSFILE} = $(not_found) ]] ; then
|
|
error "resultsFile (resultsFile) is not installed."
|
|
fail
|
|
fi
|
|
|
|
printf "\e[0;34m"
|
|
echo " ___________________________ "
|
|
echo "< All dependencies installed. >"
|
|
echo " --------------------------- "
|
|
echo " \ ^__^ "
|
|
echo " \ (oo)\_______ "
|
|
echo " (__)\ )\/\. "
|
|
echo " ||----w | "
|
|
echo " || || "
|
|
echo "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~"
|
|
echo ""
|
|
echo ""
|
|
printf "\e[m\n"
|
|
|
|
|
|
if [[ -n $CONFIG ]] ; then
|
|
|
|
"${QP_ROOT}"/scripts/compilation/qp_create_ninja create --development "${CONFIG}"
|
|
fi
|
|
|
|
if [[ -f ${QP_ROOT}/build.ninja ]] ; then
|
|
[[ -z ${TRAVIS} ]] && echo "You can now run ./bin/qpsh to enter in the QP shell mode :)"
|
|
else
|
|
echo ""
|
|
echo "${QP_ROOT}/build.ninja does not exist,"
|
|
echo "you need to specify the COMPILATION configuration file."
|
|
echo "See ./configure -h for more details."
|
|
echo ""
|
|
fi
|
|
|
|
exit 0
|
|
|
|
|
|
|