mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-24 21:21:47 +02:00
Bugfix (#67)
* Fixing opam installation * Fixed 6-31 basis sets * Bug in quickstart * Use irpf90 v1.7.6 * Fix IRPF90 Path
This commit is contained in:
parent
304c682a60
commit
1bf836d4a3
68
configure
vendored
68
configure
vendored
@ -9,6 +9,22 @@ eval set -- "$TEMP"
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export QP_ROOT="$( cd "$(dirname "$0")" ; pwd -P )"
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export QP_ROOT="$( cd "$(dirname "$0")" ; pwd -P )"
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echo "QP_ROOT="$QP_ROOT
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echo "QP_ROOT="$QP_ROOT
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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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EZFIO_URL="https://gitlab.com/scemama/EZFIO/-/archive/v1.4.0/EZFIO-v1.4.0.tar.gz"
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F77ZMQ_URL="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz"
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GMP_URL="ftp://ftp.gnu.org/gnu/gmp/gmp-6.1.2.tar.bz2"
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IRPF90_URL="https://gitlab.com/scemama/irpf90/-/archive/v1.7.6/irpf90-v1.7.6.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/master/resultsFile-master.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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function help()
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{
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{
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@ -183,9 +199,7 @@ for PACKAGE in ${PACKAGES} ; do
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if [[ ${PACKAGE} = ninja ]] ; then
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if [[ ${PACKAGE} = ninja ]] ; then
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download \
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download ${NINJA_URL} "${QP_ROOT}"/external/ninja.zip
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"https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip" \
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"${QP_ROOT}"/external/ninja.zip
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execute << EOF
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execute << EOF
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rm -f "\${QP_ROOT}"/bin/ninja
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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/ninja.zip -d "\${QP_ROOT}"/bin
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@ -194,9 +208,7 @@ EOF
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elif [[ ${PACKAGE} = gmp ]] ; then
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elif [[ ${PACKAGE} = gmp ]] ; then
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download \
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download ${GMP_URL} "${QP_ROOT}"/external/gmp.tar.bz2
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"ftp://ftp.gnu.org/gnu/gmp/gmp-6.1.2.tar.bz2" \
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"${QP_ROOT}"/external/gmp.tar.bz2
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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --bzip2 --extract --file gmp.tar.bz2
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tar --bzip2 --extract --file gmp.tar.bz2
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@ -208,9 +220,7 @@ EOF
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elif [[ ${PACKAGE} = libcap ]] ; then
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elif [[ ${PACKAGE} = libcap ]] ; then
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download \
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download ${LIBCAP_URL} "${QP_ROOT}"/external/libcap.tar.gz
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"https://git.kernel.org/pub/scm/linux/kernel/git/morgan/libcap.git/snapshot/libcap-2.25.tar.gz" \
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"${QP_ROOT}"/external/libcap.tar.gz
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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file libcap.tar.gz
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tar --gunzip --extract --file libcap.tar.gz
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@ -221,9 +231,7 @@ EOF
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elif [[ ${PACKAGE} = bwrap ]] ; then
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elif [[ ${PACKAGE} = bwrap ]] ; then
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download \
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download ${BUBBLE_URL} "${QP_ROOT}"/external/bwrap.tar.xz
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"https://github.com/projectatomic/bubblewrap/releases/download/v0.3.3/bubblewrap-0.3.3.tar.xz" \
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"${QP_ROOT}"/external/bwrap.tar.xz
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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --xz --extract --file bwrap.tar.xz
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tar --xz --extract --file bwrap.tar.xz
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@ -236,9 +244,7 @@ EOF
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elif [[ ${PACKAGE} = irpf90 ]] ; then
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elif [[ ${PACKAGE} = irpf90 ]] ; then
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# When changing version of irpf90, don't forget to update etc/irpf90.rc
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# When changing version of irpf90, don't forget to update etc/irpf90.rc
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download \
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download ${IRPF90_URL} "${QP_ROOT}"/external/irpf90.tar.gz
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"https://gitlab.com/scemama/irpf90/-/archive/v1.7.5/irpf90-v1.7.5.tar.gz" \
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"${QP_ROOT}"/external/irpf90.tar.gz
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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file irpf90.tar.gz
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tar --gunzip --extract --file irpf90.tar.gz
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@ -250,9 +256,7 @@ EOF
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elif [[ ${PACKAGE} = zeromq ]] ; then
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elif [[ ${PACKAGE} = zeromq ]] ; then
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download \
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download ${ZEROMQ_URL} "${QP_ROOT}"/external/zeromq.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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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file zeromq.tar.gz
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tar --gunzip --extract --file zeromq.tar.gz
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@ -266,9 +270,7 @@ EOF
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elif [[ ${PACKAGE} = f77zmq ]] ; then
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elif [[ ${PACKAGE} = f77zmq ]] ; then
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download \
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download ${F77ZMQ_URL} "${QP_ROOT}"/external/f77_zmq.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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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file f77_zmq.tar.gz
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tar --gunzip --extract --file f77_zmq.tar.gz
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@ -284,9 +286,7 @@ EOF
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elif [[ ${PACKAGE} = ocaml ]] ; then
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elif [[ ${PACKAGE} = ocaml ]] ; then
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download \
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download ${OCAML_URL} "${QP_ROOT}"/external/opam_installer.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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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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@ -338,9 +338,7 @@ EOF
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elif [[ ${PACKAGE} = ezfio ]] ; then
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elif [[ ${PACKAGE} = ezfio ]] ; then
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download \
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download ${EZFIO_URL} "${QP_ROOT}"/external/ezfio.tar.gz
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"https://gitlab.com/scemama/EZFIO/-/archive/v1.4.0/EZFIO-v1.4.0.tar.gz" \
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"${QP_ROOT}"/external/ezfio.tar.gz
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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file ezfio.tar.gz
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tar --gunzip --extract --file ezfio.tar.gz
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@ -351,9 +349,7 @@ EOF
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elif [[ ${PACKAGE} = zlib ]] ; then
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elif [[ ${PACKAGE} = zlib ]] ; then
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download \
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download ${ZLIB_URL} "${QP_ROOT}"/external/zlib.tar.gz
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"https://www.zlib.net/zlib-1.2.11.tar.gz" \
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"${QP_ROOT}"/external/zlib.tar.gz
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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar --gunzip --extract --file zlib.tar.gz
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tar --gunzip --extract --file zlib.tar.gz
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@ -366,9 +362,7 @@ EOF
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elif [[ ${PACKAGE} = docopt ]] ; then
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elif [[ ${PACKAGE} = docopt ]] ; then
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download \
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download ${DOCOPT_URL} "${QP_ROOT}"/external/docopt.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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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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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 docopt.tar.gz
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@ -379,9 +373,7 @@ EOF
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elif [[ ${PACKAGE} = resultsFile ]] ; then
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elif [[ ${PACKAGE} = resultsFile ]] ; then
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download \
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download ${RESULTS_URL} "${QP_ROOT}"/external/resultsFile.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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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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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 resultsFile.tar.gz
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@ -391,9 +383,7 @@ EOF
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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 ${BATS_URL} "${QP_ROOT}"/external/bats.tar.gz
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"https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz" \
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"${QP_ROOT}"/external/bats.tar.gz
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execute << EOF
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execute << EOF
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cd "\${QP_ROOT}"/external
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cd "\${QP_ROOT}"/external
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tar -zxf bats.tar.gz
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tar -zxf bats.tar.gz
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@ -1,7 +1,7 @@
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# Configuration of IRPF90 package
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# Configuration of IRPF90 package
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# Set the path of IRPF90 here:
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# Set the path of IRPF90 here:
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export IRPF90_PATH=${QP_ROOT}/external/irpf90-v1.7.5
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export IRPF90_PATH=${QP_ROOT}/external/irpf90-v1.7.6
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export PATH=${PATH}:${IRPF90_PATH}/bin
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export PATH=${PATH}:${IRPF90_PATH}/bin
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export IRPF90=${IRPF90_PATH}/bin/irpf90
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export IRPF90=${IRPF90_PATH}/bin/irpf90
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