mirror of
https://gitlab.com/scemama/qmcchem.git
synced 2024-08-31 23:33:42 +02:00
Modernized for zmq 4.2.5 and python2
This commit is contained in:
parent
a07c4a98f2
commit
609e82f5cc
@ -4,7 +4,7 @@ rule compile_ezfio
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pool = console
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rule build_properties_config
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command = bash -c "source qmcchemrc ; exec python ./scripts/create_properties_ezfio.py"
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command = bash -c "source qmcchemrc ; exec python2 ./scripts/create_properties_ezfio.py"
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pool = console
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rule compile_irpf90
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@ -4,11 +4,11 @@
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######
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URL_OPAM ="https://raw.github.com/ocaml/opam/master/shell/opam_installer.sh"
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URL_IRPF90="https://github.com/scemama/irpf90/archive/v1.6.7.tar.gz"
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URL_EZFIO ="https://github.com/scemama/EZFIO/archive/v1.3.1.tar.gz"
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URL_IRPF90="https://github.com/scemama/irpf90/archive/v1.7.2.tar.gz"
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URL_EZFIO ="https://gitlab.com/scemama/EZFIO/-/archive/v1.3.3/EZFIO-v1.3.3.tar.gz"
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URL_ZMQ ="http://download.zeromq.org/zeromq-4.1.4.tar.gz"
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URL_F77ZMQ="https://github.com/scemama/f77_zmq/archive/4.1.4.tar.gz"
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URL_ZMQ ="https://github.com/zeromq/libzmq/archive/v4.2.5.tar.gz"
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URL_F77ZMQ="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz"
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# Rules
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#######
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@ -49,7 +49,7 @@ build _build/irpf90.ok ../bin/irpman ../bin/irpf90: install | Downloads/irpf90.t
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target = irpf90
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descr = IRPF90
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build _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.4 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h: install | Downloads/zmq.tar.gz
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build _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.5 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h: install | Downloads/zmq.tar.gz
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target = zmq
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descr = ZeroMQ
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@ -57,7 +57,7 @@ build _build/ezfio.ok: install | Downloads/ezfio.tar.gz _build/irpf90.ok ../bin
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target = ezfio
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descr = EZFIO
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build _build/f77_zmq.ok ../src/ZMQ/f77_zmq.h ../lib/libf77zmq.a ../lib/libf77zmq.so: install | Downloads/f77_zmq.tar.gz _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.4 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h
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build _build/f77_zmq.ok ../src/ZMQ/f77_zmq.h ../lib/libf77zmq.a ../lib/libf77zmq.so: install | 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
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target = f77_zmq
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descr = Fortran ZeroMQ interface
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@ -69,7 +69,7 @@ build _build/ocaml.ok ../bin/opam: install | Downloads/opam_installer.sh _build
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target = ocaml
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descr = OCaml compiler
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build _build/ocaml_zmq.ok: install | ../bin/opam ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h _build/ocaml.ok _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.4 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h
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build _build/ocaml_zmq.ok: install | ../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
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target = ocaml_zmq
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descr = OCaml ZeroMQ interface
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@ -15,7 +15,7 @@ function _install()
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cd -
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rm -f -- "${QMCCHEM_PATH}"/src/ZMQ/f77_zmq.h "${QMCCHEM_PATH}"/lib/libf77zmq.a "${QMCCHEM_PATH}"/lib/libf77zmq.so
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cp "${BUILD}"/libf77zmq.{a,so} ../lib/
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cp "${BUILD}"/f77_zmq.h ../src/ZMQ/
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cp "${BUILD}"/f77_zmq_free.h ../src/ZMQ/f77_zmq.h
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return 0
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}
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@ -10,14 +10,16 @@ function _install()
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set -e
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set -u
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cd "${BUILD}"
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./configure --without-libsodium
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./autogen.sh
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./configure --without-libsodium --prefix=${QMCCHEM_PATH} --disable-libunwind
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make -j 8
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make install
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cd -
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rm -f -- "${QMCCHEM_PATH}"/lib/libzmq.{a,so,so.$LIBVERSION}
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cp "${BUILD}"/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/
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cp "${BUILD}"/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION
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# cp "${BUILD}"/src/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/
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# cp "${BUILD}"/src/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION
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# cp "${BUILD}"/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/
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# cp "${BUILD}"/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION
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cp "${BUILD}"/src/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/
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cp "${BUILD}"/src/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION
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cp "${BUILD}"/include/{zmq,zmq_utils}.h "${QMCCHEM_PATH}"/lib/
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cd "${QMCCHEM_PATH}"/lib
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ln libzmq.so.$LIBVERSION libzmq.so || cp libzmq.so.$LIBVERSION libzmq.so
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@ -25,7 +25,7 @@ if [[ ${MD5} != ${REF} ]]
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then
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echo ${MD5} > ${LSMD5_FILE}
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echo Finding dependencies in OCaml files
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python ./ninja_ocaml.py
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python2 ./ninja_ocaml.py
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fi
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ninja ${@}
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@ -1,4 +1,4 @@
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#!/usr/bin/env python
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#!/usr/bin/env python2
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#
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# Copyright 2015 Anthony Scemama
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#
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@ -218,7 +218,7 @@ GENERATED_NINJA=generated.ninja
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# Name of the auto-generated ninja file
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rule create_generated
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command = python ./ninja_ocaml.py
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command = python2 ./ninja_ocaml.py
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description = Finding dependencies between modules
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rule run_ninja
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@ -33,7 +33,7 @@ then
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IRPF90_FLAGS="${IRPF90_FLAGS} --ninja"
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# Check IRPF90 version
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if [[ $( ${IRPF90} -v | python -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
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if [[ $( ${IRPF90} -v | python2 -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
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then
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echo "IRPF90 version >= 1.6 required"
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exit -1
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@ -25,7 +25,7 @@ if [[ ${MD5} != ${REF} ]]
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then
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echo ${MD5} > ${LSMD5_FILE}
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echo Finding dependencies in OCaml files
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python ./ninja_ocaml.py || exit -1
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python2 ./ninja_ocaml.py || exit -1
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fi
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@ -1,4 +1,4 @@
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#!/usr/bin/env python
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#!/usr/bin/env python2
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#
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# Creates the properties.config file in the EZFIO directory. This is
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# done by reading all the properties written in the src/PROPERTIES
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@ -1,4 +1,4 @@
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#!/usr/bin/python
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#!/usr/bin/env python2
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import string
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import os
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@ -1,4 +1,4 @@
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BEGIN_SHELL [ /usr/bin/env python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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import os
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from properties import properties
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root = os.environ['QMCCHEM_PATH']
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@ -59,7 +59,7 @@ END_SHELL
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! DIMENSIONS
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!==========================================================================!
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/python2 ]
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from properties import *
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make_dims()
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END_SHELL
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@ -1,6 +1,6 @@
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! Providers of *_block_walk
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!==============================
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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@ -1,6 +1,6 @@
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! Providers of *_dmc_block_walk
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!==============================
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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@ -67,7 +67,7 @@ END_SHELL
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integer :: k, i_walk, i_step
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -150,7 +150,7 @@ END_SHELL
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psi_value_save(i_walk) = psi_value
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E_loc_save(i_walk) = E_loc
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -265,7 +265,7 @@ END_SHELL
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factor = 1.d0/block_weight
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SOFT_TOUCH block_weight
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -1,6 +1,6 @@
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! Providers of *_fkmc_block_walk
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!==============================
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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@ -77,7 +77,7 @@ END_SHELL
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integer :: k, i_walk, i_step
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -173,7 +173,7 @@ END_SHELL
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psi_value_save(i_walk) = psi_value
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E_loc_save(i_walk) = E_loc
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -339,7 +339,7 @@ END_SHELL
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factor = 1.d0/block_weight
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SOFT_TOUCH block_weight
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -1,6 +1,6 @@
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! Providers of *_pdmc_block_walk
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!==============================
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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@ -70,7 +70,7 @@ END_SHELL
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integer :: k, i_walk, i_step
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -197,7 +197,7 @@ END_SHELL
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! E_loc_zv(i+pdmc_n_diag+1) = pdmc_pop_weight_mult(i-1) * pdmc_weight(i_walk) * dmc_zv_weight
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! enddo
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -299,7 +299,7 @@ END_SHELL
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factor = 1.d0/block_weight
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SOFT_TOUCH block_weight
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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! Providers of *_srmc_block_walk
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!==============================
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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@ -72,7 +72,7 @@ END_SHELL
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integer :: k, i_walk, i_step
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -210,7 +210,7 @@ END_SHELL
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endif
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -338,7 +338,7 @@ END_SHELL
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factor = 1.d0/block_weight
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SOFT_TOUCH block_weight
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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! Providers of *_vmc_block_walk
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!==============================
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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@ -39,7 +39,7 @@ END_SHELL
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PROVIDE time_step
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -93,7 +93,7 @@ END_SHELL
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block_weight += 1.d0
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -153,7 +153,7 @@ END_SHELL
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double precision :: factor
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factor = 1.d0/block_weight
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SOFT_TOUCH block_weight
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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t = """
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if (calc_$X) then
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@ -101,7 +101,7 @@ subroutine run_qmc(cpu0)
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call zmq_send_real(msg,elec_coord_full,size(elec_coord_full))
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endif
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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from properties import *
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derivlist = []
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BEGIN_SHELL [ /usr/bin/python ]
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BEGIN_SHELL [ /usr/bin/python2 ]
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data = [ \
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("electrons_elec_coord_pool_size" , "integer" , "" ),
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#!/usr/bin/python
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#!/usr/bin/python2
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import string
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import os
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