LCPQ
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qmcchem
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Installation OK now

This commit is contained in:
Anthony Scemama 2020-11-02 22:50:11 +01:00
parent 8313af10ac
commit 754b8602e6
4 changed files with 5 additions and 2 deletions
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2
Makefile
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@ -30,7 +30,7 @@ always: /dev/null
src/tags src/irpf90_entities src/irpf90.make: make.config always
./scripts/compile_irpf90.sh
src/MAIN/qmc src/MAIN/qmc_create_walkers src/MAIN/qmcchem_info: lib/libezfio.a lib/libezfio_irp.a src/tags src/irpf90_entities src/irpf90.make src/irpf90.make
src/MAIN/qmc src/MAIN/vmc_test src/MAIN/qmc_create_walkers src/MAIN/qmcchem_info: lib/libezfio.a lib/libezfio_irp.a src/tags src/irpf90_entities src/irpf90.make src/irpf90.make
./scripts/compile_src.sh
# OCaml

1
configure.sh
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@ -44,5 +44,6 @@ export C_INCLUDE_PATH="\${QMCCHEM_PATH}/include:\${C_INCLUDE_PATH}"
#export QMCCHEM_NIC=ib0
source \${QMCCHEM_PATH}/irpf90/bin/irpman
#source \${QMCCHEM_PATH}/EZFIO/Bash/ezfio.sh
eval $(opam env)
EOF

2
install/Makefile
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@ -66,4 +66,6 @@ _build/ocaml_zmq.ok: ../bin/opam ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.
all: _build/ocaml_zmq.ok _build/ocaml.ok ../bin/opam _build/qmcchemrc.ok ../qmcchemrc _build/f77_zmq.ok ../src/ZMQ/f77_zmq.h ../lib/libf77zmq.a ../lib/libf77zmq.so _build/ezfio.ok _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.5 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h _build/irpf90.ok ../bin/irpman ../bin/irpf90
@echo "Now, source again the qmcchemrc file"
@echo "source $$QMCCHEM_PATH/qmcchemrc"

2
install/scripts/install_ocaml_zmq.sh
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@ -32,7 +32,7 @@ export C_INCLUDE_PATH="${QMCCHEM_PATH}/lib":$C_INCLUDE_PATH
export LIBRARY_PATH="${QMCCHEM_PATH}/lib":$LIBRARY_PATH
export LD_LIBRARY_PATH="${QMCCHEM_PATH}/lib":$LD_LIBRARY_PATH
set -u
opam install zmq conf-zmq
opam install -y zmq conf-zmq
rm -f _build/ocaml_zmq.log
exit 0