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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-06-23 13:42:04 +02:00

Modernized for zmq 4.2.5 and python2

This commit is contained in:
Anthony Scemama 2018-07-09 14:40:45 +02:00
parent a07c4a98f2
commit 609e82f5cc
20 changed files with 49 additions and 47 deletions

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@ -4,7 +4,7 @@ rule compile_ezfio
pool = console
rule build_properties_config
command = bash -c "source qmcchemrc ; exec python ./scripts/create_properties_ezfio.py"
command = bash -c "source qmcchemrc ; exec python2 ./scripts/create_properties_ezfio.py"
pool = console
rule compile_irpf90

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@ -4,11 +4,11 @@
######
URL_OPAM ="https://raw.github.com/ocaml/opam/master/shell/opam_installer.sh"
URL_IRPF90="https://github.com/scemama/irpf90/archive/v1.6.7.tar.gz"
URL_EZFIO ="https://github.com/scemama/EZFIO/archive/v1.3.1.tar.gz"
URL_IRPF90="https://github.com/scemama/irpf90/archive/v1.7.2.tar.gz"
URL_EZFIO ="https://gitlab.com/scemama/EZFIO/-/archive/v1.3.3/EZFIO-v1.3.3.tar.gz"
URL_ZMQ ="http://download.zeromq.org/zeromq-4.1.4.tar.gz"
URL_F77ZMQ="https://github.com/scemama/f77_zmq/archive/4.1.4.tar.gz"
URL_ZMQ ="https://github.com/zeromq/libzmq/archive/v4.2.5.tar.gz"
URL_F77ZMQ="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz"
# Rules
#######
@ -49,7 +49,7 @@ build _build/irpf90.ok ../bin/irpman ../bin/irpf90: install | Downloads/irpf90.t
target = irpf90
descr = IRPF90
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
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
target = zmq
descr = ZeroMQ
@ -57,7 +57,7 @@ build _build/ezfio.ok: install | Downloads/ezfio.tar.gz _build/irpf90.ok ../bin
target = ezfio
descr = EZFIO
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
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
target = f77_zmq
descr = Fortran ZeroMQ interface
@ -69,7 +69,7 @@ build _build/ocaml.ok ../bin/opam: install | Downloads/opam_installer.sh _build
target = ocaml
descr = OCaml compiler
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
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
target = ocaml_zmq
descr = OCaml ZeroMQ interface

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@ -15,7 +15,7 @@ function _install()
cd -
rm -f -- "${QMCCHEM_PATH}"/src/ZMQ/f77_zmq.h "${QMCCHEM_PATH}"/lib/libf77zmq.a "${QMCCHEM_PATH}"/lib/libf77zmq.so
cp "${BUILD}"/libf77zmq.{a,so} ../lib/
cp "${BUILD}"/f77_zmq.h ../src/ZMQ/
cp "${BUILD}"/f77_zmq_free.h ../src/ZMQ/f77_zmq.h
return 0
}

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@ -10,14 +10,16 @@ function _install()
set -e
set -u
cd "${BUILD}"
./configure --without-libsodium
./autogen.sh
./configure --without-libsodium --prefix=${QMCCHEM_PATH} --disable-libunwind
make -j 8
make install
cd -
rm -f -- "${QMCCHEM_PATH}"/lib/libzmq.{a,so,so.$LIBVERSION}
cp "${BUILD}"/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/
cp "${BUILD}"/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION
# cp "${BUILD}"/src/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/
# cp "${BUILD}"/src/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION
# cp "${BUILD}"/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/
# cp "${BUILD}"/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION
cp "${BUILD}"/src/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/
cp "${BUILD}"/src/.libs/libzmq.so "${QMCCHEM_PATH}"/lib/libzmq.so.$LIBVERSION
cp "${BUILD}"/include/{zmq,zmq_utils}.h "${QMCCHEM_PATH}"/lib/
cd "${QMCCHEM_PATH}"/lib
ln libzmq.so.$LIBVERSION libzmq.so || cp libzmq.so.$LIBVERSION libzmq.so

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@ -25,7 +25,7 @@ if [[ ${MD5} != ${REF} ]]
then
echo ${MD5} > ${LSMD5_FILE}
echo Finding dependencies in OCaml files
python ./ninja_ocaml.py
python2 ./ninja_ocaml.py
fi
ninja ${@}

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@ -1,4 +1,4 @@
#!/usr/bin/env python
#!/usr/bin/env python2
#
# Copyright 2015 Anthony Scemama
#
@ -218,7 +218,7 @@ GENERATED_NINJA=generated.ninja
# Name of the auto-generated ninja file
rule create_generated
command = python ./ninja_ocaml.py
command = python2 ./ninja_ocaml.py
description = Finding dependencies between modules
rule run_ninja

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@ -33,7 +33,7 @@ then
IRPF90_FLAGS="${IRPF90_FLAGS} --ninja"
# Check IRPF90 version
if [[ $( ${IRPF90} -v | python -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
if [[ $( ${IRPF90} -v | python2 -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
then
echo "IRPF90 version >= 1.6 required"
exit -1

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@ -25,7 +25,7 @@ if [[ ${MD5} != ${REF} ]]
then
echo ${MD5} > ${LSMD5_FILE}
echo Finding dependencies in OCaml files
python ./ninja_ocaml.py || exit -1
python2 ./ninja_ocaml.py || exit -1
fi

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@ -1,4 +1,4 @@
#!/usr/bin/env python
#!/usr/bin/env python2
#
# Creates the properties.config file in the EZFIO directory. This is
# done by reading all the properties written in the src/PROPERTIES

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@ -1,4 +1,4 @@
#!/usr/bin/python
#!/usr/bin/env python2
import string
import os

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@ -1,4 +1,4 @@
BEGIN_SHELL [ /usr/bin/env python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
import os
from properties import properties
root = os.environ['QMCCHEM_PATH']
@ -59,7 +59,7 @@ END_SHELL
! DIMENSIONS
!==========================================================================!
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/python2 ]
from properties import *
make_dims()
END_SHELL

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@ -1,6 +1,6 @@
! Providers of *_block_walk
!==============================
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """

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@ -1,6 +1,6 @@
! Providers of *_dmc_block_walk
!==============================
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
@ -67,7 +67,7 @@ END_SHELL
integer :: k, i_walk, i_step
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -150,7 +150,7 @@ END_SHELL
psi_value_save(i_walk) = psi_value
E_loc_save(i_walk) = E_loc
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -265,7 +265,7 @@ END_SHELL
factor = 1.d0/block_weight
SOFT_TOUCH block_weight
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then

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@ -1,6 +1,6 @@
! Providers of *_fkmc_block_walk
!==============================
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
@ -77,7 +77,7 @@ END_SHELL
integer :: k, i_walk, i_step
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -173,7 +173,7 @@ END_SHELL
psi_value_save(i_walk) = psi_value
E_loc_save(i_walk) = E_loc
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -339,7 +339,7 @@ END_SHELL
factor = 1.d0/block_weight
SOFT_TOUCH block_weight
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then

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@ -1,6 +1,6 @@
! Providers of *_pdmc_block_walk
!==============================
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
@ -70,7 +70,7 @@ END_SHELL
integer :: k, i_walk, i_step
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -197,7 +197,7 @@ END_SHELL
! E_loc_zv(i+pdmc_n_diag+1) = pdmc_pop_weight_mult(i-1) * pdmc_weight(i_walk) * dmc_zv_weight
! enddo
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -299,7 +299,7 @@ END_SHELL
factor = 1.d0/block_weight
SOFT_TOUCH block_weight
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then

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@ -1,6 +1,6 @@
! Providers of *_srmc_block_walk
!==============================
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
@ -72,7 +72,7 @@ END_SHELL
integer :: k, i_walk, i_step
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -210,7 +210,7 @@ END_SHELL
endif
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -338,7 +338,7 @@ END_SHELL
factor = 1.d0/block_weight
SOFT_TOUCH block_weight
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then

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@ -1,6 +1,6 @@
! Providers of *_vmc_block_walk
!==============================
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
@ -39,7 +39,7 @@ END_SHELL
PROVIDE time_step
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -93,7 +93,7 @@ END_SHELL
block_weight += 1.d0
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then
@ -153,7 +153,7 @@ END_SHELL
double precision :: factor
factor = 1.d0/block_weight
SOFT_TOUCH block_weight
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
t = """
if (calc_$X) then

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@ -101,7 +101,7 @@ subroutine run_qmc(cpu0)
call zmq_send_real(msg,elec_coord_full,size(elec_coord_full))
endif
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/env python2 ]
from properties import *
derivlist = []

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@ -1,4 +1,4 @@
BEGIN_SHELL [ /usr/bin/python ]
BEGIN_SHELL [ /usr/bin/python2 ]
data = [ \
("electrons_elec_coord_pool_size" , "integer" , "" ),

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@ -1,4 +1,4 @@
#!/usr/bin/python
#!/usr/bin/python2
import string
import os