Install scripts

README.md

@@ -29,6 +29,19 @@ diffusion Monte Carlo algorithm.
 software including (via compiler) GPL-licensed code must also be made available
 under the GPL along with build & install instructions.
 
+Requirements
+------------
+
+* Ninja building system (replacement for GNU make)
+* EZFIO library generator
+* ZeroMQ library
+* ZeroMQ Fortran77 binding
+* IRPF90 Fortran code generator
+* OCaml compiler
+* Fortran compiler (Intel Fortran recommended)
+
+All the dependencies will be downloaded automatically
+
 Example of a QMC=Chem calculation
 ---------------------------------
 

configure.sh

@@ -0,0 +1,17 @@
+#!/bin/bash 
+
+set -e
+set -u
+cd install
+mkdir -p Downloads _build
+mkdir -p bin
+if [[ ! -x ../bin/ninja ]]
+then
+  echo "Installing Ninja"
+  ./scripts/install_ninja.sh &> _build/ninja.log 
+  touch _build/ninja.ok
+fi
+touch ../{src,ocaml}/ls_md5
+exec ../bin/ninja "$@"
+
+

install/build.ninja

@@ -0,0 +1,76 @@
+# This script should be run in the install dircetory
+
+# URLs
+######
+
+URL_OPAM  ="http://raw.github.com/ocaml/opam/master/shell/opam_installer.sh"
+URL_IRPF90="http://github.com/scemama/irpf90/archive/v1.6.7.tar.gz"
+URL_EZFIO ="http://github.com/scemama/EZFIO/archive/v1.3.1.tar.gz"
+
+URL_ZMQ   ="http://download.zeromq.org/zeromq-4.0.7.tar.gz"
+#URL_ZMQ   ="http://download.zeromq.org/zeromq-4.1.3.tar.gz"
+URL_F77ZMQ="http://github.com/scemama/f77_zmq/archive/v4.1.3.tar.gz"
+
+# Rules
+#######
+
+rule download
+  command = wget ${url} -O ${out} -o /dev/null
+  description = Downloading ${descr}
+
+rule install
+  command = ./scripts/install_${target}.sh > _build/${target}.log 2>&1 &&  touch _build/${target}.ok || cat _build/${target}.log
+  description = Installing ${descr}
+
+
+# Builds
+########
+
+build Downloads/irpf90.tar.gz: download 
+  url = ${URL_IRPF90}
+  descr = IRPF90 code generator
+
+build Downloads/ezfio.tar.gz: download 
+  url = ${URL_EZFIO}
+  descr = EZFIO I/O library generator
+
+build Downloads/zmq.tar.gz: download 
+  url = ${URL_ZMQ}
+  descr = ZeroMQ communication library
+
+build Downloads/f77_zmq.tar.gz: download 
+  url = ${URL_F77ZMQ}
+  descr = Fortran ZeroMQ interface
+
+build Downloads/opam_installer.sh: download
+  url = ${URL_OPAM}
+  descr = OCaml OPAM installer
+
+build _build/irpf90.ok ../bin/irpman ../bin/irpf90: install | Downloads/irpf90.tar.gz 
+  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 
+  target = zmq
+  descr = ZeroMQ
+
+build _build/ezfio.ok: install | Downloads/ezfio.tar.gz  _build/irpf90.ok ../bin/irpman ../bin/irpf90
+  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
+  target = f77_zmq
+  descr = Fortran ZeroMQ interface
+
+build _build/qmcchemrc.ok ../qmcchemrc: install | _build/irpf90.ok ../bin/irpman ../bin/irpf90 _build/ezfio.ok
+  target = qmcchemrc
+  description = QMC=Chem environment variables
+
+build _build/ocaml.ok ../bin/opam: install | Downloads/opam_installer.sh  _build/qmcchemrc.ok ../qmcchemrc
+  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
+  target = ocaml_zmq
+  descr = Ocaml ZeroMQ interface
+

install/scripts/build.sh

@@ -0,0 +1,14 @@
+#!/bin/bash -x
+# This script should be included by all other scripts in this directory
+
+set -u  # All variables should be defined
+set -e  # The script should exit if something goes wrong
+
+BUILD="_build/${TARGET}"
+rm -rf -- "${BUILD}"
+mkdir "${BUILD}"
+tar -zxf "Downloads/${TARGET}.tar.gz" --strip-components=1 --directory="${BUILD}"
+_install 
+rm -rf -- "${BUILD}" "${BUILD}.log"
+exit 0
+

install/scripts/install_ezfio.sh

@@ -0,0 +1,22 @@
+#!/bin/bash -x
+
+TARGET=ezfio
+
+function _install()
+{
+  set -e
+  set -u
+  cd ..
+  QMCCHEM_PATH="$PWD"
+  cd -
+  rm -rf "${QMCCHEM_PATH}"/EZFIO
+  cd "${BUILD}"/config
+  rm -f -- qmc.config properties.config
+  touch "${QMCCHEM_PATH}"/ezfio_config/properties.config
+  ln -s "${QMCCHEM_PATH}"/ezfio_config/qmc.config qmc.config
+  ln -s "${QMCCHEM_PATH}"/ezfio_config/properties.config properties.config
+  cd -
+  mv "${BUILD}" "${QMCCHEM_PATH}"/EZFIO 
+}
+
+source scripts/build.sh

install/scripts/install_f77_zmq.sh

@@ -0,0 +1,22 @@
+#!/bin/bash -x
+
+TARGET=f77_zmq
+function _install()
+{
+  set +u
+  export C_INCLUDE_PATH=$C_INCLUDE_PATH:../../../lib
+  set -e
+  set -u
+  cd "${BUILD}"
+  export ZMQ_H=../../../lib/zmq.h
+  cp "${ZMQ_H}" .
+  make -j
+  cd - 
+  rm -f -- "../src/ZMQ/f77_zmq.h" "../lib/libf77zmq.a" "../lib/libf77zmq.so"
+  cp "${BUILD}"/libf77zmq.{a,so} ../lib/ 
+  cp "${BUILD}"/f77_zmq.h ../src/ZMQ/ 
+  return 0
+}
+
+source scripts/build.sh
+

install/scripts/install_irpf90.sh

@@ -0,0 +1,28 @@
+#!/bin/bash -x
+
+TARGET=irpf90
+function _install()
+{
+  set -e
+  set -u
+  make -C "${BUILD}" -j
+  rm -rf -- ../irpf90 
+  mv "${BUILD}" ../
+  # Check the build is OK
+  [[ -x ../irpf90/bin/irpf90 ]]
+  [[ -x ../irpf90/bin/irpman ]]
+  for i in irpf90 irpman
+  do
+    rm -rf -- ../bin/$i
+    cat << EOF > ../bin/$i
+#!/bin/bash -u
+exec "\${QMCCHEM_PATH}"/irpf90/bin/$i "\$@"
+EOF
+    chmod +x ../bin/$i
+  done
+  return 0
+}
+
+source scripts/build.sh
+
+

install/scripts/install_ninja.sh

@@ -0,0 +1,25 @@
+#!/bin/bash -x
+
+set -u
+set -e
+
+TARGET=ninja
+URL="http://github.com/martine/ninja/archive/v1.5.3.tar.gz"
+
+function _install()
+{
+  set -e
+  set -u
+  cd "${BUILD}"
+  ./configure.py --bootstrap
+  cd -
+  mv "${BUILD}/ninja" ../bin/
+  return 0 
+}
+
+if [[ ! -f "Downloads/${TARGET}.tar.gz" ]]
+then
+  wget ${URL} -O "Downloads/${TARGET}.tar.gz" 
+fi
+source scripts/build.sh
+

install/scripts/install_ocaml.sh

@@ -0,0 +1,47 @@
+#!/bin/bash -x
+
+set -u
+set -e
+
+PACKAGES="core cryptokit ocamlfind sexplib"
+
+declare -i i
+i=$(gcc -dumpversion | cut -d '.' -f 2)
+if [[ i -lt 6 ]]
+then
+   echo "GCC version $(gcc -dumpversion) too old. GCC >= 4.6 required."
+   exit 1
+fi
+
+source ../qmcchemrc
+cd Downloads 
+chmod +x opam_installer.sh
+
+if [[ -d "${HOME}"/.opam ]]
+then
+  set +e
+  set +u
+  source "${HOME}"/.opam/opam-init/init.sh 
+  set -e
+  set -u
+fi
+
+echo N | ./opam_installer.sh "${QMCCHEM_PATH}"/bin/ 
+if [[ ! -f "${QMCCHEM_PATH}"/bin/opam ]]
+then
+   echo "Installation of OPAM failed"
+   exit 2
+fi
+"${QMCCHEM_PATH}"/bin/opam config setup -a --dot-profile "${QMCCHEM_PATH}"/qmcchemrc 
+touch "${QMCCHEM_PATH}"/bin/opam
+
+set +u
+export LD_LIBRARY_PATH="${QMCCHEM_PATH}/lib:${LD_LIBRARY_PATH}"
+export LIBRARY_PATH="${QMCCHEM_PATH}/lib:${LIBRARY_PATH}"
+export C_INCLUDE_PATH="${QMCCHEM_PATH}/lib:${C_INCLUDE_PATH}"
+set -u
+opam install ${PACKAGES} 
+rm ../_build/ocaml.log
+exit 0
+
+

install/scripts/install_ocaml_zmq.sh

@@ -0,0 +1,21 @@
+#!/bin/bash -x
+
+set -e
+set -u
+
+declare -i i
+i=$(gcc -dumpversion | cut -d '.' -f 2)
+if [[ i -lt 6 ]]
+then
+   echo "GCC version $(gcc -dumpversion) too old. GCC >= 4.6 required."
+   exit 1
+fi
+
+set +u
+source ../qmcchemrc
+set -u
+opam install zmq 
+rm -f _build/ocaml_zmq.log
+exit 0
+
+

install/scripts/install_qmcchemrc.sh

@@ -0,0 +1,19 @@
+#!/bin/bash
+
+cd ..
+cat << EOF > qmcchemrc
+# QMC=Chem environment variables
+export QMCCHEM_PATH=${PWD}
+export PATH="\${QMCCHEM_PATH}/bin:\${PATH}"
+export LD_LIBRARY_PATH="\${QMCCHEM_PATH}/lib:\${LD_LIBRARY_PATH}"
+export LIBRARY_PATH="\${QMCCHEM_PATH}/lib:\${LIBRARY_PATH}"
+export QMCCHEM_MPIRUN="mpirun"
+export QMCCHEM_MPIRUN_FLAGS="--bind-to-core"
+#export QMCCHEM_NIC=ib0
+source \${QMCCHEM_PATH}/irpf90/bin/irpman
+source \${QMCCHEM_PATH}/EZFIO/Bash/ezfio.sh
+EOF
+
+cd -
+rm -f _build/qmcchemrc.log
+exit 0

install/scripts/install_zmq.sh

@@ -0,0 +1,28 @@
+#!/bin/bash -x
+
+TARGET=zmq
+function _install()
+{
+  LIBVERSION=4
+  set +u
+  export C_INCLUDE_PATH="${C_INCLUDE_PATH}":./
+  set -e
+  set -u
+  cd "${BUILD}"
+  ./configure --without-libsodium
+  make -j 8
+  cd - 
+  rm -f -- ../lib/libzmq.a ../lib/libzmq.so ../lib/libzmq.so.$LIBVERSION
+# cp "${BUILD}"/.libs/libzmq.a ../lib/ 
+# cp "${BUILD}"/.libs/libzmq.so ../lib/libzmq.so.$LIBVERSION	
+  cp "${BUILD}"/src/.libs/libzmq.a ../lib/ 
+  cp "${BUILD}"/src/.libs/libzmq.so ../lib/libzmq.so.$LIBVERSION
+  cp "${BUILD}"/include/{zmq,zmq_utils}.h ../lib/
+  cd ../lib
+  ln libzmq.so.$LIBVERSION libzmq.so || cp libzmq.so.$LIBVERSION libzmq.so
+  cd -
+  return 0
+}
+
+source scripts/build.sh
+