LCPQ
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qmcchem
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Fix EZFIO

This commit is contained in:
Anthony Scemama 2022-01-11 23:35:22 +01:00
parent 7aa1ee504d
commit 52c16c4059
3 changed files with 13 additions and 10 deletions
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2
EZFIO

@ -1 +1 @@
Subproject commit ed1df9f3c1f51752656ca98da5693a4119add05c
Subproject commit d5805497fa0ef30e70e055cde1ecec2963303e93

16
install/Makefile
View File

@ -2,7 +2,7 @@ default_target: all
Downloads/irpf90.tar.gz:
wget --no-check-certificate \
"https://gitlab.com/scemama/irpf90/-/archive/v2.0.0/irpf90-v2.0.0.tar.gz" \
"https://gitlab.com/scemama/irpf90/-/archive/v2.0.5/irpf90-v2.0.5.tar.gz" \
-O $@.tmp -o /dev/null && mv $@.tmp $@
Downloads/ezfio.tar.gz:
@ -31,7 +31,7 @@ _build/irpf90.ok ../bin/irpman ../bin/irpf90: Downloads/irpf90.tar.gz
touch _build/$${target}.ok || cat _build/$${target}.log
_build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.5 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h: Downloads/zmq.tar.gz
_build/zmq.ok: Downloads/zmq.tar.gz
export target=zmq ; \
./scripts/install_$${target}.sh > _build/$${target}.log 2>&1 &&\
touch _build/$${target}.ok || cat _build/$${target}.log
@ -41,31 +41,31 @@ _build/ezfio.ok: Downloads/ezfio.tar.gz
./scripts/install_$${target}.sh > _build/$${target}.log 2>&1 &&\
touch _build/$${target}.ok || cat _build/$${target}.log
_build/f77_zmq.ok ../src/ZMQ/f77_zmq.h ../lib/libf77zmq.a ../lib/libf77zmq.so: Downloads/f77_zmq.tar.gz _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.5 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h
_build/f77_zmq.ok: Downloads/f77_zmq.tar.gz _build/zmq.ok
export target=f77_zmq ; \
./scripts/install_$${target}.sh > _build/$${target}.log 2>&1 &&\
touch _build/$${target}.ok || cat _build/$${target}.log
_build/qmcchemrc.ok ../qmcchemrc: _build/irpf90.ok ../bin/irpman ../bin/irpf90 _build/ezfio.ok
_build/qmcchemrc.ok: _build/irpf90.ok _build/ezfio.ok
export target=qmcchemrc; \
./scripts/install_$${target}.sh > _build/$${target}.log 2>&1 &&\
touch _build/$${target}.ok || cat _build/$${target}.log
_build/ocaml.ok ../bin/opam: Downloads/opam_installer.sh _build/qmcchemrc.ok ../qmcchemrc
which opam && touch _build/$${target}.ok ../bin/opam || \
_build/ocaml.ok: Downloads/opam_installer.sh _build/qmcchemrc.ok ../qmcchemrc
which opam && touch _build/$${target}.ok || \
( export target=ocaml; \
./scripts/install_$${target}.sh > _build/$${target}.log 2>&1 &&\
touch _build/$${target}.ok || cat _build/$${target}.log ;\
)
_build/ocaml_zmq.ok: ../bin/opam ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h _build/ocaml.ok _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.5 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h
_build/ocaml_zmq.ok: _build/ocaml.ok
export target=ocaml_zmq; \
./scripts/install_$${target}.sh > _build/$${target}.log 2>&1 &&\
touch _build/$${target}.ok || cat _build/$${target}.log
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
all: _build/ocaml_zmq.ok _build/ocaml.ok _build/qmcchemrc.ok _build/f77_zmq.ok _build/ezfio.ok _build/zmq.ok _build/irpf90.ok
@echo "Now, source again the qmcchemrc file"
@echo "source $$QMCCHEM_PATH/qmcchemrc"

5
scripts/compile_ezfio.sh
View File

@ -10,7 +10,10 @@ source make.config
source qmcchemrc
FCFLAGS="${FCFLAGS} -fPIC"
export IRPF90 FC FCFLAGS AR RANLIB
cd EZFIO
cd EZFIO/config
[[ -f properties.config ]] || ln -s ../../ezfio_config/properties.config .
[[ -f qmc.config ]] || ln -s ../../ezfio_config/qmc.config .
cd ..
source ../make.config
make || exit -1
cp lib/libezfio{,_irp}.a ${QMCCHEM_PATH}/lib/ || exit 1