mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-02 09:58:24 +01:00
configure
This commit is contained in:
parent
11f2bd400a
commit
49fc21a9fa
@ -83,9 +83,7 @@
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- Added LIB file to add extra libs in plugin
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- Using Intel IPP for sorting when using Intel compiler
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- Removed parallelism in sorting
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ao_one_e_integral_zero
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banned_excitations
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- Compute banned_excitations from exchange integrals to accelerate with local MOs
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130
configure
vendored
130
configure
vendored
@ -3,7 +3,7 @@
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# Quantum Package configuration script
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#
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TEMP=$(getopt -o c:i:h -l config:,install:,help -n $0 -- "$@") || exit 1
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TEMP=$(getopt -o d:c:i:h -l download:,config:,install:,help -n $0 -- "$@") || exit 1
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eval set -- "$TEMP"
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export QP_ROOT="$( cd "$(dirname "$0")" ; pwd -P )"
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@ -20,11 +20,9 @@ git submodule update
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# /!\ When updating version, update also etc files
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BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz"
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BUBBLE_URL="https://github.com/projectatomic/bubblewrap/releases/download/v0.3.3/bubblewrap-0.3.3.tar.xz"
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DOCOPT_URL="https://github.com/docopt/docopt/archive/0.6.2.tar.gz"
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BSE_URL="https://github.com/MolSSI-BSE/basis_set_exchange/archive/v0.8.11.tar.gz"
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F77ZMQ_URL="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz"
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LIBCAP_URL="https://git.kernel.org/pub/scm/linux/kernel/git/morgan/libcap.git/snapshot/libcap-2.25.tar.gz"
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NINJA_URL="https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip"
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OCAML_URL="https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh"
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RESULTS_URL="https://gitlab.com/scemama/resultsFile/-/archive/v2.0/resultsFile-v2.0.tar.gz"
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@ -41,6 +39,7 @@ Usage:
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$(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 $0) -d <package> | --download=<package>
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Options:
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-c, --config=<file> Define a COMPILATION configuration file,
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@ -49,6 +48,9 @@ Options:
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-i, --install=<package> INSTALL <package>. Use at your OWN RISK:
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no support will be provided for the installation of
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dependencies.
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-d, --download=<package> DOWNLOAD <package>. Use at your OWN RISK:
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no support will be provided for the installation of
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dependencies.
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Example:
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./$(basename $0) -c config/gfortran.cfg
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@ -100,6 +102,14 @@ 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} $2"
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DO_DOWNLOAD=1
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esac
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shift 2;;
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-h|-help|--help)
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@ -204,7 +214,7 @@ if [[ "${PACKAGES}.x" != ".x" ]] ; then
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fi
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if [[ ${PACKAGES} = all ]] ; then
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PACKAGES="zlib ninja irpf90 zeromq f77zmq gmp libcap bwrap ocaml docopt resultsFile bats"
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PACKAGES="zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats"
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fi
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@ -212,15 +222,20 @@ 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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EOF
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fi
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elif [[ ${PACKAGE} = gmp ]] ; then
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if [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --bzip2 --extract --file gmp-6.1.2.tar.bz2
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@ -228,45 +243,15 @@ EOF
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./configure --prefix=$QP_ROOT && make -j 8
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make install
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EOF
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elif [[ ${PACKAGE} = libcap ]] ; then
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download ${LIBCAP_URL} "${QP_ROOT}"/external/libcap.tar.gz
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file libcap.tar.gz
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rm libcap.tar.gz
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cd libcap-*/libcap
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prefix=$QP_ROOT make BUILD_GPERF=no install
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EOF
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elif [[ ${PACKAGE} = bwrap ]] ; then
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download ${BUBBLE_URL} "${QP_ROOT}"/external/bwrap.tar.xz
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --xz --extract --file bwrap.tar.xz
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rm bwrap.tar.xz
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cd bubblewrap*
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./configure --prefix=$QP_ROOT && make -j 8
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make install-exec-am
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EOF
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elif [[ ${PACKAGE} = irpf90 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file irpf90.tar.gz
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rm irpf90.tar.gz
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mv irpf90-* irpf90
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cd irpf90
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make
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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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@ -278,11 +263,16 @@ EOF
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make
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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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@ -294,24 +284,44 @@ 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 [[ $DO_INSTALL == 1 ]] ; then
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cd "${QP_ROOT}"/external/
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./ocaml-bundle.sh
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cat << EOF | ./ocaml-bundle.sh
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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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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 [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file zlib.tar.gz
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@ -320,38 +330,54 @@ EOF
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./configure --prefix=${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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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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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 [[ $DO_INSTALL == 1 ]] ; then
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execute << EOF
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cd "\${QP_ROOT}"/external
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tar -zxf bats.tar.gz
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( cd bats-core-1.1.0/ ; ./install.sh \${QP_ROOT})
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rm --recursive --force -- bats-core-1.1.0 \ "\${QP_ROOT}"/external/bats.tar.gz
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EOF
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fi
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else
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error "${PACKAGE} unknown."
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@ -369,12 +395,6 @@ if [[ ${NINJA} = $(not_found) ]] ; then
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fail
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fi
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IRPF90=$(find_exe irpf90)
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if [[ ${IRPF90} = $(not_found) ]] ; then
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error "IRPF90 (irpf90) is not installed."
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fail
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fi
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ZEROMQ=$(find_lib -lzmq)
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if [[ ${ZEROMQ} = $(not_found) ]] ; then
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error "ZeroMQ (zeromq) is not installed."
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@ -393,24 +413,6 @@ if [[ ${ZLIB} = $(not_found) ]] ; then
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fail
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fi
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LIBCAP=$(find_lib -lcap)
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if [[ ${LIBCAP} = $(not_found) ]] ; then
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error "Libcap (libcap) is not installed."
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fail
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fi
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BWRAP=$(find_exe bwrap)
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if [[ ${BWRAP} = $(not_found) ]] ; then
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error "Bubblewrap (bwrap) is not installed."
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fail
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fi
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OPAM=$(find_exe opam)
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if [[ ${OPAM} = $(not_found) ]] ; then
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error "OPAM (ocaml) package manager is not installed."
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fail
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fi
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OCAML=$(find_exe ocaml)
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if [[ ${OCAML} = $(not_found) ]] ; then
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error "OCaml (ocaml) compiler is not installed."
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then
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# Comment these lines if you have a system-wide OCaml installation
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export OPAMROOT=${QP_ROOT}/external/opam
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export PATH="${QP_ROOT}/external/ocaml-bundle/bootstrap/bin:$PATH"
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eval $(opam env --root "${QP_ROOT}/external/ocaml-bundle/opam" --set-root)
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BIN
external/ocaml-bundle.sh
vendored
BIN
external/ocaml-bundle.sh
vendored
Binary file not shown.
@ -2,7 +2,7 @@
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# Stage 1
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# Configure QP2
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./configure --install all --config ./config/travis.cfg || exit -1
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./configure --download all --install all --config ./config/travis.cfg || exit -1
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# Create cache
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cd ../
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