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Installation of QMCkl

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This commit is contained in:
Anthony Scemama 2023-09-18 18:14:04 +02:00
parent 04113adbdc
commit 2b3bf4fc00
1 changed files with 18 additions and 1 deletions
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19
configure vendored
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@ -191,7 +191,7 @@ if [[ "${PACKAGES}.x" != ".x" ]] ; then
fi fi
if [[ ${PACKAGES} = all ]] ; then if [[ ${PACKAGES} = all ]] ; then
PACKAGES="zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats trexio" PACKAGES="zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats trexio qmckl"
fi fi
@ -229,6 +229,17 @@ EOF
./configure --prefix=\${QP_ROOT} ./configure --prefix=\${QP_ROOT}
make -j 8 && make -j 8 check && make -j 8 install make -j 8 && make -j 8 check && make -j 8 install
EOF EOF
elif [[ ${PACKAGE} = qmckl ]] ; then
VERSION=0.5.2
execute << EOF
cd "\${QP_ROOT}"/external
wget https://github.com/TREX-CoE/qmckl/releases/download/v${VERSION}/qmckl-${VERSION}.tar.gz
tar -zxf qmckl-${VERSION}.tar.gz
cd qmckl-${VERSION}
./configure --prefix=\${QP_ROOT} --enable-hpc --disable-doc
make -j 4 && make -j 4 check && make install
EOF
elif [[ ${PACKAGE} = gmp ]] ; then elif [[ ${PACKAGE} = gmp ]] ; then
@ -371,6 +382,12 @@ if [[ ${TREXIO} = $(not_found) ]] ; then
fail fail
fi fi
QMCKL=$(find_lib -lqmckl)
if [[ ${QMCKL} = $(not_found) ]] ; then
error "QMCkl (qmckl) is not installed."
fail
fi
F77ZMQ=$(find_lib -lzmq -lf77zmq -lpthread) F77ZMQ=$(find_lib -lzmq -lf77zmq -lpthread)
if [[ ${F77ZMQ} = $(not_found) ]] ; then if [[ ${F77ZMQ} = $(not_found) ]] ; then
error "Fortran binding of ZeroMQ (f77zmq) is not installed." error "Fortran binding of ZeroMQ (f77zmq) is not installed."