mirror of
https://github.com/LCPQ/quantum_package
synced 2024-09-27 03:51:01 +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 $PACKAGES | xargs)
|
||||
|
||||
|
||||
|
||||
sed "s!^export QP_ROOT=.*\$!export QP_ROOT=\"$PWD\"!" quantum_package.rc.default > quantum_package.rc
|
||||
sed "s!^export QP_ROOT=.*\$!export QP_ROOT=\"$PWD\"!" \
|
||||
quantum_package.rc.default > quantum_package.rc
|
||||
|
||||
echo "quantum_package.rc created."
|
||||
|
||||
@ -81,7 +82,7 @@ function error() {
|
||||
}
|
||||
|
||||
function download() {
|
||||
wget --no-check-certificate $1 -O $2 || error "Unable to download $1"
|
||||
wget --no-check-certificate $1 --output-document=$2 || error "Unable to download $1"
|
||||
}
|
||||
|
||||
function find_exe() {
|
||||
@ -149,8 +150,9 @@ for PACKAGE in ${PACKAGES} ; do
|
||||
download \
|
||||
"https://github.com/scemama/irpf90/archive/v1.7.2.tar.gz" \
|
||||
"${QP_ROOT}"/external/irpf90.tar.gz
|
||||
(
|
||||
cd "${QP_ROOT}"/external
|
||||
tar -zxf irpf90.tar.gz
|
||||
tar --gunzip --extract --file irpf90.tar.gz
|
||||
rm irpf90.tar.gz
|
||||
cd irpf90-*
|
||||
make
|
||||
@ -163,7 +165,7 @@ EOF
|
||||
|
||||
chmod +x "${QP_ROOT}"/bin/$i
|
||||
done
|
||||
cd "${QP_ROOT}"
|
||||
)
|
||||
|
||||
|
||||
elif [[ ${PACKAGE} = zeromq ]] ; then
|
||||
@ -171,14 +173,15 @@ EOF
|
||||
download \
|
||||
"https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz" \
|
||||
"${QP_ROOT}"/external/zeromq.tar.gz
|
||||
(
|
||||
cd "${QP_ROOT}"/external
|
||||
tar -zxf zeromq.tar.gz
|
||||
tar --gunzip --extract --file zeromq.tar.gz
|
||||
rm zeromq.tar.gz
|
||||
cd zeromq-*
|
||||
./configure --prefix="$QP_ROOT" --without-libsodium --enable-libunwind=no
|
||||
make
|
||||
make install
|
||||
cd "${QP_ROOT}"
|
||||
)
|
||||
|
||||
|
||||
elif [[ ${PACKAGE} = f77zmq ]] ; then
|
||||
@ -186,8 +189,9 @@ EOF
|
||||
download \
|
||||
"https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz" \
|
||||
"${QP_ROOT}"/external/f77_zmq.tar.gz
|
||||
(
|
||||
cd "${QP_ROOT}"/external
|
||||
tar -zxf f77_zmq.tar.gz
|
||||
tar --gunzip --extract --file f77_zmq.tar.gz
|
||||
rm f77_zmq.tar.gz
|
||||
cd f77_zmq-*
|
||||
export ZMQ_H="$QP_ROOT"/include/zmq.h
|
||||
@ -195,7 +199,7 @@ EOF
|
||||
cp libf77zmq.a "${QP_ROOT}"/lib
|
||||
cp libf77zmq.so "${QP_ROOT}"/lib
|
||||
cp f77_zmq_free.h "${QP_ROOT}"/include
|
||||
cd "${QP_ROOT}"
|
||||
)
|
||||
|
||||
|
||||
elif [[ ${PACKAGE} = ocaml ]] ; then
|
||||
@ -204,7 +208,7 @@ EOF
|
||||
"https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh" \
|
||||
"${QP_ROOT}"/external/opam_installer.sh
|
||||
chmod +x "${QP_ROOT}"/external/opam_installer.sh
|
||||
rm -f ${QP_ROOT}/bin/opam
|
||||
rm --force ${QP_ROOT}/bin/opam
|
||||
|
||||
if [[ -n ${TRAVIS} ]] ; then
|
||||
# Special commands for Travis CI
|
||||
@ -224,10 +228,12 @@ EOF
|
||||
source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
|
||||
rm ${QP_ROOT}/external/opam_installer.sh
|
||||
|
||||
${QP_ROOT}/bin/opam init --disable-sandboxing --verbose --yes --comp=4.07.0
|
||||
${QP_ROOT}/bin/opam init --disable-sandboxing --verbose \
|
||||
--yes --comp=4.07.0
|
||||
|
||||
eval $(${QP_ROOT}/bin/opam env)
|
||||
opam install -y ocamlbuild cryptokit zmq core sexplib ppx_sexp_conv ppx_deriving
|
||||
opam install -y ocamlbuild cryptokit zmq core sexplib \
|
||||
ppx_sexp_conv ppx_deriving
|
||||
|
||||
|
||||
elif [[ ${PACKAGE} = ezfio ]] ; then
|
||||
@ -235,10 +241,11 @@ EOF
|
||||
download \
|
||||
"https://gitlab.com/scemama/EZFIO/-/archive/master/EZFIO-master.tar.gz" \
|
||||
"${QP_ROOT}"/external/ezfio.tar.gz
|
||||
(
|
||||
cd "${QP_ROOT}"/external
|
||||
tar -zxf ezfio.tar.gz
|
||||
tar --gunzip --extract --file ezfio.tar.gz
|
||||
mv EZFIO-* ezfio
|
||||
cd "${QP_ROOT}"
|
||||
)
|
||||
|
||||
|
||||
elif [[ ${PACKAGE} = emsl ]] ; then
|
||||
@ -246,10 +253,11 @@ EOF
|
||||
download \
|
||||
"https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local/archive/v1.0.tar.gz" \
|
||||
"${QP_ROOT}"/external/EMSL.tar.gz
|
||||
(
|
||||
cd "${QP_ROOT}"/external
|
||||
tar -zxf EMSL.tar.gz
|
||||
tar --gunzip --extract --file EMSL.tar.gz
|
||||
mv EMSL_Basis* emsl
|
||||
cd "${QP_ROOT}"
|
||||
)
|
||||
|
||||
|
||||
elif [[ ${PACKAGE} = docopt ]] ; then
|
||||
@ -257,11 +265,12 @@ EOF
|
||||
download \
|
||||
"https://github.com/docopt/docopt/archive/0.6.2.tar.gz" \
|
||||
"${QP_ROOT}"/external/docopt.tar.gz
|
||||
(
|
||||
cd "${QP_ROOT}"/external
|
||||
tar -zxf docopt.tar.gz
|
||||
tar --gunzip --extract --file docopt.tar.gz
|
||||
mv docopt-*/docopt.py "${QP_ROOT}/external/Python"
|
||||
rm -rf docopt-*/ docopt.tar.gz
|
||||
cd "${QP_ROOT}"
|
||||
rm --recursive --force -- docopt-*/ docopt.tar.gz
|
||||
)
|
||||
|
||||
|
||||
elif [[ ${PACKAGE} = resultsFile ]] ; then
|
||||
@ -269,24 +278,27 @@ EOF
|
||||
download \
|
||||
"https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz" \
|
||||
"${QP_ROOT}"/external/resultsFile.tar.gz
|
||||
(
|
||||
cd "${QP_ROOT}"/external
|
||||
tar -zxf resultsFile.tar.gz
|
||||
tar --gunzip --extract --file resultsFile.tar.gz
|
||||
mv resultsFile-master/resultsFile "${QP_ROOT}/external/Python"
|
||||
rm -rf resultsFile-master resultsFile.tar.gz
|
||||
cd "${QP_ROOT}"
|
||||
rm --recursive --force resultsFile-master resultsFile.tar.gz
|
||||
)
|
||||
|
||||
elif [[ ${PACKAGE} = bats ]] ; then
|
||||
|
||||
download \
|
||||
"https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz" \
|
||||
"${QP_ROOT}"/external/bats.tar.gz
|
||||
cd "${QP_ROOT}"/external
|
||||
(
|
||||
tar -zxf bats.tar.gz
|
||||
(
|
||||
cd bats-core-1.1.0/
|
||||
./install.sh $QP_ROOT
|
||||
cd ..
|
||||
rm -rf bats-core-1.1.0 "${QP_ROOT}"/external/bats.tar.gz
|
||||
cd "${QP_ROOT}"
|
||||
)
|
||||
rm --recursive --force -- bats-core-1.1.0 \
|
||||
"${QP_ROOT}"/external/bats.tar.gz
|
||||
)
|
||||
|
||||
fi
|
||||
|
||||
|
@ -46,7 +46,7 @@ function find_libs ()
|
||||
for i in $@
|
||||
do
|
||||
ldd $i
|
||||
done | sort | grep '/' | cut -d ' ' -f 3 | uniq
|
||||
done | sort | grep '/' | cut --delimiter=' ' --fields=3 | uniq
|
||||
}
|
||||
|
||||
function find_exec ()
|
||||
@ -60,8 +60,8 @@ function find_exec ()
|
||||
echo "Creating root of static directory"
|
||||
# ---------------------------------
|
||||
|
||||
rm -rf -- ${QPACKAGE_STATIC}
|
||||
mkdir -p -- ${QPACKAGE_STATIC}/{bin,lib,extra_lib,external}
|
||||
rm --recursive --force -- "${QPACKAGE_STATIC}"
|
||||
mkdir --parents -- ${QPACKAGE_STATIC}/{bin,lib,extra_lib,external}
|
||||
if [[ $? -ne 0 ]] ;
|
||||
then
|
||||
echo "Error creating ${QPACKAGE_STATIC}/{bin,lib,extra_lib,external}"
|
||||
@ -94,21 +94,22 @@ then
|
||||
exit 1
|
||||
fi
|
||||
|
||||
(
|
||||
cd ${QPACKAGE_STATIC}/bin
|
||||
for i in *.native
|
||||
do
|
||||
mv "$i" $(basename "$i" .native)
|
||||
done
|
||||
cd -
|
||||
)
|
||||
|
||||
cp -r ${QP_ROOT}/data ${QPACKAGE_STATIC}/data
|
||||
cp --recursive -- ${QP_ROOT}/data ${QPACKAGE_STATIC}/data
|
||||
for i in ${FORTRAN_EXEC}
|
||||
do
|
||||
i=$(basename $i)
|
||||
echo $i \$QP_ROOT/bin/$i
|
||||
done > ${QPACKAGE_STATIC}/data/executables
|
||||
|
||||
mkdir -p ${QPACKAGE_STATIC}/src/Bitmask
|
||||
mkdir --parents -- ${QPACKAGE_STATIC}/src/Bitmask
|
||||
cp ${QP_ROOT}/src/Bitmask/bitmasks_module.f90 ${QPACKAGE_STATIC}/src/Bitmask
|
||||
|
||||
#
|
||||
@ -140,10 +141,10 @@ cp -- ${QPACKAGE_STATIC}/extra_lib/lib{[gi]omp*,mkl*,lapack*,blas*,z*} ${QPACKAG
|
||||
echo "Copying scripts directory"
|
||||
# -------------------------
|
||||
|
||||
cp -r -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/
|
||||
cp --recursive -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/
|
||||
if [[ $? -ne 0 ]] ;
|
||||
then
|
||||
echo 'cp -r -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/'
|
||||
echo 'cp --recursive -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/'
|
||||
exit 1
|
||||
fi
|
||||
#
|
||||
@ -151,17 +152,17 @@ fi
|
||||
echo "Copying external libraries"
|
||||
# --------------------------
|
||||
|
||||
cp -r -- ${QP_ROOT}/external/emsl ${QPACKAGE_STATIC}/external
|
||||
cp --recursive -- ${QP_ROOT}/external/emsl ${QPACKAGE_STATIC}/external
|
||||
if [[ $? -ne 0 ]] ;
|
||||
then
|
||||
echo 'cp -r -- ${QP_ROOT}/external/emsl ${QPACKAGE_STATIC}/'
|
||||
echo 'cp --recursive -- ${QP_ROOT}/external/emsl ${QPACKAGE_STATIC}/'
|
||||
exit 1
|
||||
fi
|
||||
|
||||
cp -r ${QP_ROOT}/external/Python ${QPACKAGE_STATIC}/external/
|
||||
cp --recursive -- ${QP_ROOT}/external/Python ${QPACKAGE_STATIC}/external/
|
||||
mkdir ${QPACKAGE_STATIC}/external/ezfio
|
||||
cp -r ${QP_ROOT}/external/ezfio/Python ${QPACKAGE_STATIC}/external/ezfio/
|
||||
cp -r ${QP_ROOT}/external/ezfio/Bash ${QPACKAGE_STATIC}/external/ezfio/
|
||||
cp --recursive -- ${QP_ROOT}/external/ezfio/Python ${QPACKAGE_STATIC}/external/ezfio/
|
||||
cp --recursive -- ${QP_ROOT}/external/ezfio/Bash ${QPACKAGE_STATIC}/external/ezfio/
|
||||
|
||||
|
||||
#
|
||||
@ -175,10 +176,10 @@ sed "s!^export QP_ROOT=.*\$!export QP_ROOT=\$( cd \$(dirname "\${BASH_SOURCE}")
|
||||
echo "Creating the archive"
|
||||
# --------------------
|
||||
|
||||
tar -zcf "${QPACKAGE_STATIC}".tar.gz quantum_package_static && rm -rf -- "${QPACKAGE_STATIC}"
|
||||
tar --gzip --compress --file "${QPACKAGE_STATIC}".tar.gz quantum_package_static && rm --recursive --force -- "${QPACKAGE_STATIC}"
|
||||
if [[ $? -ne 0 ]] ;
|
||||
then
|
||||
echo 'tar -zcf "${QPACKAGE_STATIC}".tar.gz "${QPACKAGE_STATIC}" && rm -rf -- "${QPACKAGE_STATIC}"'
|
||||
echo 'tar --gzip --compress --file "${QPACKAGE_STATIC}".tar.gz "${QPACKAGE_STATIC}" && rm --recursive --force -- "${QPACKAGE_STATIC}"'
|
||||
exit 1
|
||||
fi
|
||||
|
||||
|
@ -67,7 +67,7 @@ as a single-node job before re-submitting the current job.
|
||||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||||
"
|
||||
fi
|
||||
rm -f $INPUT/work/qp_run_address
|
||||
rm --force "${INPUT}"/work/qp_run_address
|
||||
set -x
|
||||
mpiexec.hydra -n 1 -hosts "$MASTER_NODE" qp_run $PROG $INPUT &
|
||||
|
||||
|
@ -67,7 +67,7 @@ as a single-node job before re-submitting the current job.
|
||||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||||
"
|
||||
fi
|
||||
rm -f $INPUT/work/qp_run_address
|
||||
rm --force -- "${INPUT}"/work/qp_run_address
|
||||
set -x
|
||||
srun -N 1 -n 1 qp_run $PROG $INPUT &
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user