qp2/bin/qp_export_as_tgz

#!/bin/bash
#
# Creates a self-contained binary distribution in the form of a tar.gz file
#
# Mon Nov 26 22:57:50 CET 2018
#

function help() {
  cat << EOF
In some HPC facilities, the access to the internet is limited for security
reasons.  In such an environment, the installation of QP is sometimes very
painful because the OCaml compiler and the libraries can't be installed by a
non-root user.

This command creates a self-contained binary distribution in the form of a
tar.gz file that can be copied on another machine.


Usage:

    $(basename $0) [-h|--help]

Options:

    -h    --help    Prints the help message

Note:

    There can be conflicts due to the version of Glibc. The machine on which |QP| is
    compiled should be the oldest one.

EOF
  exit 0
}

function error() {
    >&2 echo "$(basename $0): $@"
    exit 2
}


while true ; do
    case "$1" in
        "")
            break;;
        -h|-help|--help)
            help;;
        *)
            echo $(basename $0)": unknown option $1, try --help"
            exit 2;;
    esac
    shift
done

set -x

# Check the QP_ROOT directory
if [[ -z ${QP_ROOT} ]] ; then
  echo "The QP_ROOT environment variable is not set."
  echo "Please reload the quantum_package.rc file."
  exit 1
fi

cd ${QP_ROOT}
if [[ -f quantum_package.rc \
   && -f README.md \
   && -d src  \
   && -d etc  \
   && -d man  \
   && -d bin  \
   && -d ocaml \
   && -d external \
   && -d scripts ]] ; then
  : # OK, this is a quantum_package directory
else
  error "This doesn't look like a quantum_package directory"
  exit 1
fi


# Build all sources
ninja
if [[ $? -ne 0 ]] ; then
  error "Error building ${dir}"
fi


# Copy the files in the static directory
QPACKAGE_STATIC=${QP_ROOT}/quantum_package_static

function find_libs () {
  for i in "$@" ; do
      ldd $i
  done \
  | sort \
  | grep '/' \
  | cut --delimiter=' ' --fields=3 \
  | uniq
}

function find_exec () {
  for i in $@ ; do
     find ${QP_ROOT}/$i -perm /u+x -type f
  done
}



echo "Creating root of static directory"
#     ---------------------------------

rm --recursive --force -- "${QPACKAGE_STATIC}"
mkdir --parents -- ${QPACKAGE_STATIC}/{bin,etc,man,lib,extra_lib,external}
if [[ $? -ne 0 ]] ; then
  error "Error creating ${QPACKAGE_STATIC}/{bin,lib,etc,man,extra_lib,external}"
  exit 1
fi



echo "Copying binary files"
#     --------------------

FORTRAN_EXEC=$(find_exec src/*/)
if [[ -z $FORTRAN_EXEC ]] ; then
  error 'No Fortran binaries found.'
  exit 1
fi

OCAML_EXEC=$(find_exec ocaml | grep .native )
if [[ -z $OCAML_EXEC ]] ; then
  error 'No ocaml binaries found.'
  exit 1
fi

cp -- ${FORTRAN_EXEC} ${OCAML_EXEC} ${QPACKAGE_STATIC}/bin
if [[ $? -ne 0 ]] ; then
  error "Error in cp -- ${FORTRAN_EXEC} ${OCAML_EXEC} ${QPACKAGE_STATIC}/bin"
  exit 1
fi

(
cd ${QPACKAGE_STATIC}/bin
  for i in *.native ; do
    mv "$i" $(basename "$i" .native)
  done
)

cp ${QP_ROOT}/bin/qp_* ${QPACKAGE_STATIC}/bin
cp ${QP_ROOT}/bin/qpsh ${QPACKAGE_STATIC}/bin

cp --recursive -- ${QP_ROOT}/data ${QPACKAGE_STATIC}/data
for i in ${FORTRAN_EXEC} ; do
  i=$(basename $i)
  echo $i \$QP_ROOT/bin/$i
done > ${QPACKAGE_STATIC}/data/executables

mkdir --parents -- ${QPACKAGE_STATIC}/src/bitmask
cp ${QP_ROOT}/src/bitmask/bitmasks_module.f90 ${QPACKAGE_STATIC}/src/bitmask


echo "Copying dynamic libraries"
#     --------------------------

MKL_LIBS=$(find_libs ${FORTRAN_EXEC} \
           | grep libmkl \
           | head -1)
if [[ -n ${MKL_LIBS} ]]
then
  MKL_LIBS=$(dirname ${MKL_LIBS})
  MKL_LIBS=$(ls ${MKL_LIBS}/libmkl_{def,avx,avx2}.so)
fi

ALL_LIBS=$(find_libs ${OCAML_EXEC} ${FORTRAN_EXEC})
for i in ${ALL_LIBS} ${MKL_LIBS} ; do
  cp -- ${i} ${QPACKAGE_STATIC}/extra_lib
done

if [[ $? -ne 0 ]] ; then
  echo 'cp -- ${ALL_LIBS} ${MKL_LIBS} ${QPACKAGE_STATIC}/extra_lib'
  exit 1
fi

cp -- ${QPACKAGE_STATIC}/extra_lib/lib{[gi]omp*,mkl*,lapack*,blas*,z*,gfortran*,quad*} \
   ${QPACKAGE_STATIC}/lib/

#
echo "Copying scripts directory"
#     -------------------------

cp --recursive -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/
if [[ $? -ne 0 ]] ;
then
  error 'cp --recursive -- ${QP_ROOT}/scripts ${QPACKAGE_STATIC}/'
  exit 1
fi
#

echo "Copying external libraries"
#     --------------------------

cp --recursive -- ${QP_ROOT}/external/Python ${QPACKAGE_STATIC}/external/
mkdir ${QPACKAGE_STATIC}/external/ezfio
cp --recursive -- ${QP_ROOT}/external/ezfio/Python ${QPACKAGE_STATIC}/external/ezfio/
cp --recursive -- ${QP_ROOT}/external/ezfio/Bash   ${QPACKAGE_STATIC}/external/ezfio/
cp --recursive -- ${QP_ROOT}/man/*   ${QPACKAGE_STATIC}/man/


echo "Creating quantum_package.rc"
#     ---------------------------

cp ${QP_ROOT}/quantum_package.rc ${QPACKAGE_STATIC}/
cp ${QP_ROOT}/etc/* ${QPACKAGE_STATIC}/etc/
cat << EOF > ${QPACKAGE_STATIC}/etc/00.qp_root.rc
export QP_ROOT="\$( cd \$(dirname \\\${BASH_SOURCE}) ; cd .. ; pwd -P )"
EOF


echo "Creating the archive"
#     --------------------

tar --create --gzip --file "${QPACKAGE_STATIC}".tar.gz quantum_package_static && \
    rm --recursive --force -- "${QPACKAGE_STATIC}"
if [[ $? -ne 0 ]] ; then
  error 'tar --create --gzip --file "${QPACKAGE_STATIC}".tar.gz "${QPACKAGE_STATIC}" &&
  rm --recursive --force -- "${QPACKAGE_STATIC}"'
  exit 1
fi

echo "Done : ${QPACKAGE_STATIC}.tar.gz"