mirror of
https://github.com/QuantumPackage/qp2.git
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add qp2-dependencies
This commit is contained in:
parent
49fc21a9fa
commit
6773acac06
3
.gitmodules
vendored
3
.gitmodules
vendored
@ -4,3 +4,6 @@
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[submodule "external/irpf90"]
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path = external/irpf90
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url = https://gitlab.com/scemama/irpf90.git
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[submodule "external/qp2-dependencies"]
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path = external/qp2-dependencies
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url = git@github.com:QuantumPackage/qp2-dependencies.git
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123
configure
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123
configure
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@ -18,18 +18,6 @@ export CC=gcc
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git submodule init
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git submodule update
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# /!\ When updating version, update also etc files
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BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz"
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DOCOPT_URL="https://github.com/docopt/docopt/archive/0.6.2.tar.gz"
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BSE_URL="https://github.com/MolSSI-BSE/basis_set_exchange/archive/v0.8.11.tar.gz"
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F77ZMQ_URL="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz"
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NINJA_URL="https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip"
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OCAML_URL="https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh"
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RESULTS_URL="https://gitlab.com/scemama/resultsFile/-/archive/v2.0/resultsFile-v2.0.tar.gz"
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ZEROMQ_URL="https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz"
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ZLIB_URL="https://www.zlib.net/zlib-1.2.11.tar.gz"
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function help()
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{
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cat <<EOF
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@ -39,7 +27,6 @@ Usage:
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$(basename $0) -c <file> | --config=<file>
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$(basename $0) -h | --help
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$(basename $0) -i <package> | --install=<package>
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$(basename $0) -d <package> | --download=<package>
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Options:
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-c, --config=<file> Define a COMPILATION configuration file,
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@ -48,9 +35,6 @@ Options:
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-i, --install=<package> INSTALL <package>. Use at your OWN RISK:
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no support will be provided for the installation of
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dependencies.
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-d, --download=<package> DOWNLOAD <package>. Use at your OWN RISK:
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no support will be provided for the installation of
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dependencies.
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Example:
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./$(basename $0) -c config/gfortran.cfg
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@ -102,14 +86,6 @@ while true ; do
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case "$2" in
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"") help ; break;;
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*) PACKAGES="${PACKAGE} $2"
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DO_INSTALL=1
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esac
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shift 2;;
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-d|--download)
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case "$2" in
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"") help ; break;;
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*) PACKAGES="${PACKAGE} $2"
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DO_DOWNLOAD=1
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esac
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shift 2;;
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-h|-help|--help)
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@ -143,16 +119,6 @@ function success() {
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exit 0
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}
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function download() {
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echo "Downloading $1"
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echo ""
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printf "\e[0;34m"
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wget --no-check-certificate $1 --output-document=$2 || error "Unable to download $1"
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printf "\e[m"
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echo "Saved dowloaded file as $2"
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echo ""
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}
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function not_found() {
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echo 'not_found'
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}
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@ -222,61 +188,41 @@ for PACKAGE in ${PACKAGES} ; do
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if [[ ${PACKAGE} = ninja ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${NINJA_URL} "${QP_ROOT}"/external/ninja.zip
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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rm -f "\${QP_ROOT}"/bin/ninja
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unzip "\${QP_ROOT}"/external/ninja.zip -d "\${QP_ROOT}"/bin
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unzip "\${QP_ROOT}"/external/qp2-dependencies/ninja.zip -d "\${QP_ROOT}"/bin
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EOF
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fi
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elif [[ ${PACKAGE} = gmp ]] ; then
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --bzip2 --extract --file gmp-6.1.2.tar.bz2
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tar --bzip2 --extract --file qp2-dependencies/gmp-6.1.2.tar.bz2
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cd gmp-6.1.2
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./configure --prefix=$QP_ROOT && make -j 8
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make install
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make -j 8 install
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EOF
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fi
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elif [[ ${PACKAGE} = zeromq ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${ZEROMQ_URL} "${QP_ROOT}"/external/zeromq.tar.gz
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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export CC=gcc
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export CXX=g++
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file zeromq.tar.gz
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rm zeromq.tar.gz
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tar --gunzip --extract --file qp2-dependencies/zeromq-4.2.5.tar.gz
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cd zeromq-*
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./configure --prefix="\$QP_ROOT" --without-libsodium --enable-libunwind=no
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make
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make -j 8
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make install
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EOF
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fi
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elif [[ ${PACKAGE} = f77zmq ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${F77ZMQ_URL} "${QP_ROOT}"/external/f77_zmq.tar.gz
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file f77_zmq.tar.gz
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rm f77_zmq.tar.gz
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tar --gunzip --extract --file qp2-dependencies/f77_zmq-4.2.5.tar.gz
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cd f77_zmq-*
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export ZMQ_H="\$QP_ROOT"/include/zmq.h
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make
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@ -284,100 +230,61 @@ EOF
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cp libf77zmq.so "\${QP_ROOT}"/lib
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cp f77_zmq_free.h "\${QP_ROOT}"/include
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EOF
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fi
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elif [[ ${PACKAGE} = ocaml ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${OCAML_URL} "${QP_ROOT}"/external/ocaml-bundle.sh
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute <<EOF
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source "${QP_ROOT}"/quantum_package.rc
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cd "${QP_ROOT}"/external/
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cat << EOF | ./ocaml-bundle.sh
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tar --gunzip --extract --file qp2-dependencies/ocaml-bundle_x86.tar.gz
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echo | ./ocaml-bundle/compile.sh "${QP_ROOT}"
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EOF
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fi
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elif [[ ${PACKAGE} = bse ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${BSE_URL} "${QP_ROOT}"/external/bse.tar.gz
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file bse.tar.gz
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tar --gunzip --extract --file qp2-dependencies/bse-v0.8.11.tar.gz
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pip install -e basis_set_exchange-*
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EOF
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fi
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elif [[ ${PACKAGE} = zlib ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${ZLIB_URL} "${QP_ROOT}"/external/zlib.tar.gz
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file zlib.tar.gz
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rm zlib.tar.gz && \
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tar --gunzip --extract --file qp2-dependencies/zlib-1.2.11.tar.gz
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cd zlib-*/
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./configure --prefix=${QP_ROOT} && \
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make && make install
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EOF
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fi
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elif [[ ${PACKAGE} = docopt ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${DOCOPT_URL} "${QP_ROOT}"/external/docopt.tar.gz
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file docopt.tar.gz
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tar --gunzip --extract --file qp2-dependencies/docopt-0.6.2.tar.gz
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mv docopt-*/docopt.py "\${QP_ROOT}/external/Python"
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rm --recursive --force -- docopt-*/ docopt.tar.gz
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EOF
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fi
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elif [[ ${PACKAGE} = resultsFile ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${RESULTS_URL} "${QP_ROOT}"/external/resultsFile.tar.gz
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file resultsFile.tar.gz
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tar --gunzip --extract --file qp2-dependencies/resultsFile-v2.0.tar.gz
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mv resultsFile-*/resultsFile "\${QP_ROOT}/external/Python/"
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rm --recursive --force resultsFile-* resultsFile.tar.gz
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EOF
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fi
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elif [[ ${PACKAGE} = bats ]] ; then
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if [[ $DO_DOWNLOAD == 1 ]] ; then
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download ${BATS_URL} "${QP_ROOT}"/external/bats.tar.gz
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fi
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar -zxf bats.tar.gz
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tar -zxf qp2-dependencies/bats-v1.1.0.tar.gz
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( cd bats-core-1.1.0/ ; ./install.sh \${QP_ROOT})
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rm --recursive --force -- bats-core-1.1.0 \ "\${QP_ROOT}"/external/bats.tar.gz
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EOF
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fi
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else
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error "${PACKAGE} unknown."
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46
external/Python/.gitignore
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46
external/Python/.gitignore
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# Byte-compiled / optimized / DLL files
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__pycache__/
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*.py[cod]
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# C extensions
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*.so
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# Distribution / packaging
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.Python
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env/
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build/
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develop-eggs/
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dist/
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downloads/
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eggs/
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# PyInstaller
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# Usually these files are written by a python script from a template
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# before PyInstaller builds the exe, so as to inject date/other infos into it.
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*.manifest
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*.spec
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# Installer logs
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pip-log.txt
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pip-delete-this-directory.txt
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# Unit test / coverage reports
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htmlcov/
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.tox/
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.coverage
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.cache
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nosetests.xml
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coverage.xml
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# Translations
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*.mo
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*.pot
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# Django stuff:
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*.log
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# Sphinx documentation
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docs/_build/
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# PyBuilder
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target/
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BIN
external/gmp-6.1.2.tar.bz2
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BIN
external/gmp-6.1.2.tar.bz2
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Binary file not shown.
1
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1
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Submodule
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Subproject commit dfbf99abe97c44e05683baba078c1005675f7cf2
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