Modernized for zmq 4.2.5 and python2

2018-07-09 14:40:45 +02:00 · 2018-07-09 14:40:45 +02:00 · 609e82f5cc
parent a07c4a98f2
commit 609e82f5cc
20 changed files with 49 additions and 47 deletions
--- a/build.ninja
+++ b/build.ninja
@ -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
--- a/install/build.ninja
+++ b/install/build.ninja
@ -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

--- a/install/scripts/install_f77_zmq.sh
+++ b/install/scripts/install_f77_zmq.sh
@ -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
 }

--- a/install/scripts/install_zmq.sh
+++ b/install/scripts/install_zmq.sh
@ -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
--- a/ocaml/compile.sh
+++ b/ocaml/compile.sh
@ -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 ${@}
--- a/ocaml/ninja_ocaml.py
+++ b/ocaml/ninja_ocaml.py
@ -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
--- a/scripts/compile_irpf90.sh
+++ b/scripts/compile_irpf90.sh
@ -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
--- a/scripts/compile_ocaml_dep.sh
+++ b/scripts/compile_ocaml_dep.sh
@ -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


--- a/scripts/create_properties_ezfio.py
+++ b/scripts/create_properties_ezfio.py
@ -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
--- a/scripts/create_properties_python.py
+++ b/scripts/create_properties_python.py
@ -1,4 +1,4 @@
-#!/usr/bin/python
+#!/usr/bin/env python2

 import string
 import os
--- a/src/PROPERTIES/properties.irp.f
+++ b/src/PROPERTIES/properties.irp.f
@ -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
--- a/src/SAMPLING/block.irp.f
+++ b/src/SAMPLING/block.irp.f
@ -1,6 +1,6 @@
 ! Providers of *_block_walk
 !==============================
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *

 t = """
--- a/src/SAMPLING/dmc_step.irp.f
+++ b/src/SAMPLING/dmc_step.irp.f
@ -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
--- a/src/SAMPLING/fkmc_step.irp.f
+++ b/src/SAMPLING/fkmc_step.irp.f
@ -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
--- a/src/SAMPLING/pdmc_step.irp.f
+++ b/src/SAMPLING/pdmc_step.irp.f
@ -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
--- a/src/SAMPLING/srmc_step.irp.f
+++ b/src/SAMPLING/srmc_step.irp.f
@ -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
--- a/src/SAMPLING/vmc_step.irp.f
+++ b/src/SAMPLING/vmc_step.irp.f
@ -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
--- a/src/ZMQ/qmc.irp.f
+++ b/src/ZMQ/qmc.irp.f
@ -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 = []
--- a/src/ezfio_interface.irp.f
+++ b/src/ezfio_interface.irp.f
@ -1,4 +1,4 @@
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/python2 ]

 data = [ \
 ("electrons_elec_coord_pool_size"  , "integer"       , "" ),
--- a/src/properties.py
+++ b/src/properties.py
@ -1,4 +1,4 @@
-#!/usr/bin/python
+#!/usr/bin/python2

 import string
 import os