mirror of
https://github.com/LCPQ/quantum_package
synced 2024-10-19 22:41:48 +02:00
Cleaning scripts
This commit is contained in:
parent
7409eefcc6
commit
e9e768877d
62
configure
vendored
62
configure
vendored
@ -53,7 +53,8 @@ PACKAGES=$(echo $PACKAGES | xargs)
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sed "s!^export QP_ROOT=.*\$!export QP_ROOT=\"$PWD\"!" quantum_package.rc.default > quantum_package.rc
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sed "s!^export QP_ROOT=.*\$!export QP_ROOT=\"$PWD\"!" \
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quantum_package.rc.default > quantum_package.rc
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echo "quantum_package.rc created."
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echo "quantum_package.rc created."
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@ -81,7 +82,7 @@ function error() {
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}
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}
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function download() {
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function download() {
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wget --no-check-certificate $1 -O $2 || error "Unable to download $1"
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wget --no-check-certificate $1 --output-document=$2 || error "Unable to download $1"
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}
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}
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function find_exe() {
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function find_exe() {
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@ -149,8 +150,9 @@ for PACKAGE in ${PACKAGES} ; do
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download \
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download \
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"https://github.com/scemama/irpf90/archive/v1.7.2.tar.gz" \
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"https://github.com/scemama/irpf90/archive/v1.7.2.tar.gz" \
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"${QP_ROOT}"/external/irpf90.tar.gz
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"${QP_ROOT}"/external/irpf90.tar.gz
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(
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cd "${QP_ROOT}"/external
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cd "${QP_ROOT}"/external
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tar -zxf irpf90.tar.gz
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tar --gunzip --extract --file irpf90.tar.gz
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rm irpf90.tar.gz
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rm irpf90.tar.gz
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cd irpf90-*
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cd irpf90-*
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make
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make
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@ -163,7 +165,7 @@ EOF
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chmod +x "${QP_ROOT}"/bin/$i
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chmod +x "${QP_ROOT}"/bin/$i
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done
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done
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cd "${QP_ROOT}"
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)
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elif [[ ${PACKAGE} = zeromq ]] ; then
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elif [[ ${PACKAGE} = zeromq ]] ; then
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@ -171,14 +173,15 @@ EOF
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download \
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download \
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"https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz" \
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"https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz" \
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"${QP_ROOT}"/external/zeromq.tar.gz
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"${QP_ROOT}"/external/zeromq.tar.gz
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(
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cd "${QP_ROOT}"/external
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cd "${QP_ROOT}"/external
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tar -zxf zeromq.tar.gz
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tar --gunzip --extract --file zeromq.tar.gz
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rm zeromq.tar.gz
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rm zeromq.tar.gz
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cd zeromq-*
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cd zeromq-*
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./configure --prefix="$QP_ROOT" --without-libsodium --enable-libunwind=no
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./configure --prefix="$QP_ROOT" --without-libsodium --enable-libunwind=no
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make
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make
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make install
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make install
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cd "${QP_ROOT}"
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)
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elif [[ ${PACKAGE} = f77zmq ]] ; then
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elif [[ ${PACKAGE} = f77zmq ]] ; then
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@ -186,8 +189,9 @@ EOF
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download \
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download \
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"https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz" \
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"https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz" \
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"${QP_ROOT}"/external/f77_zmq.tar.gz
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"${QP_ROOT}"/external/f77_zmq.tar.gz
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(
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cd "${QP_ROOT}"/external
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cd "${QP_ROOT}"/external
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tar -zxf f77_zmq.tar.gz
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tar --gunzip --extract --file f77_zmq.tar.gz
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rm f77_zmq.tar.gz
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rm f77_zmq.tar.gz
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cd f77_zmq-*
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cd f77_zmq-*
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export ZMQ_H="$QP_ROOT"/include/zmq.h
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export ZMQ_H="$QP_ROOT"/include/zmq.h
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@ -195,7 +199,7 @@ EOF
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cp libf77zmq.a "${QP_ROOT}"/lib
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cp libf77zmq.a "${QP_ROOT}"/lib
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cp libf77zmq.so "${QP_ROOT}"/lib
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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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cp f77_zmq_free.h "${QP_ROOT}"/include
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cd "${QP_ROOT}"
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)
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elif [[ ${PACKAGE} = ocaml ]] ; then
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elif [[ ${PACKAGE} = ocaml ]] ; then
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@ -204,7 +208,7 @@ EOF
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"https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh" \
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"https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh" \
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"${QP_ROOT}"/external/opam_installer.sh
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"${QP_ROOT}"/external/opam_installer.sh
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chmod +x "${QP_ROOT}"/external/opam_installer.sh
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chmod +x "${QP_ROOT}"/external/opam_installer.sh
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rm -f ${QP_ROOT}/bin/opam
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rm --force ${QP_ROOT}/bin/opam
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if [[ -n ${TRAVIS} ]] ; then
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if [[ -n ${TRAVIS} ]] ; then
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# Special commands for Travis CI
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# Special commands for Travis CI
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@ -224,10 +228,12 @@ EOF
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source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
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source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
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rm ${QP_ROOT}/external/opam_installer.sh
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rm ${QP_ROOT}/external/opam_installer.sh
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${QP_ROOT}/bin/opam init --disable-sandboxing --verbose --yes --comp=4.07.0
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${QP_ROOT}/bin/opam init --disable-sandboxing --verbose \
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--yes --comp=4.07.0
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eval $(${QP_ROOT}/bin/opam env)
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eval $(${QP_ROOT}/bin/opam env)
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opam install -y ocamlbuild cryptokit zmq core sexplib ppx_sexp_conv ppx_deriving
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opam install -y ocamlbuild cryptokit zmq core sexplib \
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ppx_sexp_conv ppx_deriving
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elif [[ ${PACKAGE} = ezfio ]] ; then
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elif [[ ${PACKAGE} = ezfio ]] ; then
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@ -235,10 +241,11 @@ EOF
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download \
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download \
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"https://gitlab.com/scemama/EZFIO/-/archive/master/EZFIO-master.tar.gz" \
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"https://gitlab.com/scemama/EZFIO/-/archive/master/EZFIO-master.tar.gz" \
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"${QP_ROOT}"/external/ezfio.tar.gz
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"${QP_ROOT}"/external/ezfio.tar.gz
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(
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cd "${QP_ROOT}"/external
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cd "${QP_ROOT}"/external
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tar -zxf ezfio.tar.gz
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tar --gunzip --extract --file ezfio.tar.gz
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mv EZFIO-* ezfio
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mv EZFIO-* ezfio
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cd "${QP_ROOT}"
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)
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elif [[ ${PACKAGE} = emsl ]] ; then
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elif [[ ${PACKAGE} = emsl ]] ; then
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@ -246,10 +253,11 @@ EOF
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download \
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download \
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"https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local/archive/v1.0.tar.gz" \
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"https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local/archive/v1.0.tar.gz" \
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"${QP_ROOT}"/external/EMSL.tar.gz
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"${QP_ROOT}"/external/EMSL.tar.gz
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(
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cd "${QP_ROOT}"/external
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cd "${QP_ROOT}"/external
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tar -zxf EMSL.tar.gz
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tar --gunzip --extract --file EMSL.tar.gz
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mv EMSL_Basis* emsl
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mv EMSL_Basis* emsl
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cd "${QP_ROOT}"
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)
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elif [[ ${PACKAGE} = docopt ]] ; then
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elif [[ ${PACKAGE} = docopt ]] ; then
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@ -257,11 +265,12 @@ EOF
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download \
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download \
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"https://github.com/docopt/docopt/archive/0.6.2.tar.gz" \
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"https://github.com/docopt/docopt/archive/0.6.2.tar.gz" \
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"${QP_ROOT}"/external/docopt.tar.gz
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"${QP_ROOT}"/external/docopt.tar.gz
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(
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cd "${QP_ROOT}"/external
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cd "${QP_ROOT}"/external
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tar -zxf docopt.tar.gz
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tar --gunzip --extract --file docopt.tar.gz
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mv docopt-*/docopt.py "${QP_ROOT}/external/Python"
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mv docopt-*/docopt.py "${QP_ROOT}/external/Python"
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rm -rf docopt-*/ docopt.tar.gz
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rm --recursive --force -- docopt-*/ docopt.tar.gz
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cd "${QP_ROOT}"
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)
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elif [[ ${PACKAGE} = resultsFile ]] ; then
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elif [[ ${PACKAGE} = resultsFile ]] ; then
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@ -269,24 +278,27 @@ EOF
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download \
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download \
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"https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz" \
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"https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz" \
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"${QP_ROOT}"/external/resultsFile.tar.gz
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"${QP_ROOT}"/external/resultsFile.tar.gz
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(
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cd "${QP_ROOT}"/external
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cd "${QP_ROOT}"/external
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tar -zxf resultsFile.tar.gz
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tar --gunzip --extract --file resultsFile.tar.gz
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mv resultsFile-master/resultsFile "${QP_ROOT}/external/Python"
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mv resultsFile-master/resultsFile "${QP_ROOT}/external/Python"
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rm -rf resultsFile-master resultsFile.tar.gz
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rm --recursive --force resultsFile-master resultsFile.tar.gz
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cd "${QP_ROOT}"
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)
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elif [[ ${PACKAGE} = bats ]] ; then
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elif [[ ${PACKAGE} = bats ]] ; then
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download \
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download \
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"https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz" \
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"https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz" \
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"${QP_ROOT}"/external/bats.tar.gz
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"${QP_ROOT}"/external/bats.tar.gz
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cd "${QP_ROOT}"/external
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(
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tar -zxf bats.tar.gz
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tar -zxf bats.tar.gz
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(
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cd bats-core-1.1.0/
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cd bats-core-1.1.0/
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./install.sh $QP_ROOT
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./install.sh $QP_ROOT
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cd ..
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)
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rm -rf bats-core-1.1.0 "${QP_ROOT}"/external/bats.tar.gz
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rm --recursive --force -- bats-core-1.1.0 \
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cd "${QP_ROOT}"
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"${QP_ROOT}"/external/bats.tar.gz
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)
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fi
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fi
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@ -46,7 +46,7 @@ function find_libs ()
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for i in $@
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for i in $@
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do
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do
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ldd $i
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ldd $i
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done | sort | grep '/' | cut -d ' ' -f 3 | uniq
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done | sort | grep '/' | cut --delimiter=' ' --fields=3 | uniq
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}
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}
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function find_exec ()
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function find_exec ()
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@ -60,8 +60,8 @@ function find_exec ()
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echo "Creating root of static directory"
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echo "Creating root of static directory"
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# ---------------------------------
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# ---------------------------------
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rm -rf -- ${QPACKAGE_STATIC}
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rm --recursive --force -- "${QPACKAGE_STATIC}"
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mkdir -p -- ${QPACKAGE_STATIC}/{bin,lib,extra_lib,external}
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mkdir --parents -- ${QPACKAGE_STATIC}/{bin,lib,extra_lib,external}
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if [[ $? -ne 0 ]] ;
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if [[ $? -ne 0 ]] ;
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then
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then
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echo "Error creating ${QPACKAGE_STATIC}/{bin,lib,extra_lib,external}"
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echo "Error creating ${QPACKAGE_STATIC}/{bin,lib,extra_lib,external}"
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@ -94,21 +94,22 @@ then
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exit 1
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exit 1
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fi
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fi
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(
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cd ${QPACKAGE_STATIC}/bin
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cd ${QPACKAGE_STATIC}/bin
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for i in *.native
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for i in *.native
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do
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do
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mv "$i" $(basename "$i" .native)
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mv "$i" $(basename "$i" .native)
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done
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done
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cd -
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)
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cp -r ${QP_ROOT}/data ${QPACKAGE_STATIC}/data
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cp --recursive -- ${QP_ROOT}/data ${QPACKAGE_STATIC}/data
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for i in ${FORTRAN_EXEC}
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for i in ${FORTRAN_EXEC}
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do
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do
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i=$(basename $i)
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i=$(basename $i)
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echo $i \$QP_ROOT/bin/$i
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echo $i \$QP_ROOT/bin/$i
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done > ${QPACKAGE_STATIC}/data/executables
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done > ${QPACKAGE_STATIC}/data/executables
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mkdir -p ${QPACKAGE_STATIC}/src/Bitmask
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mkdir --parents -- ${QPACKAGE_STATIC}/src/Bitmask
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cp ${QP_ROOT}/src/Bitmask/bitmasks_module.f90 ${QPACKAGE_STATIC}/src/Bitmask
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cp ${QP_ROOT}/src/Bitmask/bitmasks_module.f90 ${QPACKAGE_STATIC}/src/Bitmask
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#
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#
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@ -140,10 +141,10 @@ cp -- ${QPACKAGE_STATIC}/extra_lib/lib{[gi]omp*,mkl*,lapack*,blas*,z*} ${QPACKAG
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echo "Copying scripts directory"
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echo "Copying scripts directory"
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# -------------------------
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# -------------------------
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cp -r -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/
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cp --recursive -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/
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if [[ $? -ne 0 ]] ;
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if [[ $? -ne 0 ]] ;
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then
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then
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echo 'cp -r -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/'
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echo 'cp --recursive -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/'
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exit 1
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exit 1
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fi
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fi
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#
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#
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@ -151,17 +152,17 @@ fi
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echo "Copying external libraries"
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echo "Copying external libraries"
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# --------------------------
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# --------------------------
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cp -r -- ${QP_ROOT}/external/emsl ${QPACKAGE_STATIC}/external
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cp --recursive -- ${QP_ROOT}/external/emsl ${QPACKAGE_STATIC}/external
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if [[ $? -ne 0 ]] ;
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if [[ $? -ne 0 ]] ;
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then
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then
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echo 'cp -r -- ${QP_ROOT}/external/emsl ${QPACKAGE_STATIC}/'
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echo 'cp --recursive -- ${QP_ROOT}/external/emsl ${QPACKAGE_STATIC}/'
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exit 1
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exit 1
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fi
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fi
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cp -r ${QP_ROOT}/external/Python ${QPACKAGE_STATIC}/external/
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cp --recursive -- ${QP_ROOT}/external/Python ${QPACKAGE_STATIC}/external/
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mkdir ${QPACKAGE_STATIC}/external/ezfio
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mkdir ${QPACKAGE_STATIC}/external/ezfio
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cp -r ${QP_ROOT}/external/ezfio/Python ${QPACKAGE_STATIC}/external/ezfio/
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cp --recursive -- ${QP_ROOT}/external/ezfio/Python ${QPACKAGE_STATIC}/external/ezfio/
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cp -r ${QP_ROOT}/external/ezfio/Bash ${QPACKAGE_STATIC}/external/ezfio/
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cp --recursive -- ${QP_ROOT}/external/ezfio/Bash ${QPACKAGE_STATIC}/external/ezfio/
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#
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#
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@ -175,10 +176,10 @@ sed "s!^export QP_ROOT=.*\$!export QP_ROOT=\$( cd \$(dirname "\${BASH_SOURCE}")
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echo "Creating the archive"
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echo "Creating the archive"
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# --------------------
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# --------------------
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tar -zcf "${QPACKAGE_STATIC}".tar.gz quantum_package_static && rm -rf -- "${QPACKAGE_STATIC}"
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tar --gzip --compress --file "${QPACKAGE_STATIC}".tar.gz quantum_package_static && rm --recursive --force -- "${QPACKAGE_STATIC}"
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if [[ $? -ne 0 ]] ;
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if [[ $? -ne 0 ]] ;
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then
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then
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echo 'tar -zcf "${QPACKAGE_STATIC}".tar.gz "${QPACKAGE_STATIC}" && rm -rf -- "${QPACKAGE_STATIC}"'
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echo 'tar --gzip --compress --file "${QPACKAGE_STATIC}".tar.gz "${QPACKAGE_STATIC}" && rm --recursive --force -- "${QPACKAGE_STATIC}"'
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exit 1
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exit 1
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fi
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fi
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@ -67,7 +67,7 @@ as a single-node job before re-submitting the current job.
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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"
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"
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fi
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fi
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rm -f $INPUT/work/qp_run_address
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rm --force "${INPUT}"/work/qp_run_address
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set -x
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set -x
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mpiexec.hydra -n 1 -hosts "$MASTER_NODE" qp_run $PROG $INPUT &
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mpiexec.hydra -n 1 -hosts "$MASTER_NODE" qp_run $PROG $INPUT &
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@ -67,7 +67,7 @@ as a single-node job before re-submitting the current job.
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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"
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"
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fi
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fi
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rm -f $INPUT/work/qp_run_address
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rm --force -- "${INPUT}"/work/qp_run_address
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set -x
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set -x
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srun -N 1 -n 1 qp_run $PROG $INPUT &
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srun -N 1 -n 1 qp_run $PROG $INPUT &
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