mirror of
https://gitlab.com/scemama/eplf
synced 2024-10-30 10:48:33 +01:00
169 lines
4.4 KiB
Plaintext
169 lines
4.4 KiB
Plaintext
# EPLF computes the Electron Pair Localization Function
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# Copyright (C) 2009 Anthony SCEMAMA, CNRS
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU General Public License as published by
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# the Free Software Foundation; either version 2 of the License, or
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# (at your option) any later version.
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#
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# This program is distributed in the hope that it will be useful,
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# GNU General Public License for more details.
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#
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# You should have received a copy of the GNU General Public License along
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# with this program; if not, write to the Free Software Foundation, Inc.,
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# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
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#
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# Anthony Scemama
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# LCPQ - IRSAMC - CNRS
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# Universite Paul Sabatier
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# 118, route de Narbonne
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# 31062 Toulouse Cedex 4
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# scemama@irsamc.ups-tlse.fr
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# -*- Autoconf -*-
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# Process this file with autoconf to produce a configure script.
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VERSION=[`. version ; echo $VERSION`]
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AC_SUBST([VERSION])
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AC_REVISION([$Revision: $VERSION $])
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AC_PREREQ([2.50])
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AC_INIT([EPLF], [], [scemama@irsamc.ups-tlse.fr],[eplf],[https://gitlab.com/scemama/eplf])
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AC_SYS_LONG_FILE_NAMES
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EPLF_PATH=`pwd`
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AC_SUBST(EPLF_PATH)
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EXE=$EPLF_PATH/bin/eplf
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AC_SUBST(EXE)
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AC_CONFIG_SRCDIR([src/main.irp.f])
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AC_CONFIG_FILES([make.config])
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AC_PREFIX_DEFAULT([./])
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AC_PROG_LN_S
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AC_PROG_RANLIB
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AC_PROG_CC
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# Check for curl
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AC_CHECK_PROGS([CURL],[curl],[])
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######################################################
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# Check for python
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AC_CHECK_PROGS([PYTHON],[python3],[])
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if [[ -z $PYTHON ]] ; then
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AC_MSG_ERROR([Python3 should be installed])
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fi
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######################################################
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# IRPF90 compiler
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AC_CHECK_PROGS([IRPF90],[irpf90],[])
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if [[ -z $IRPF90 ]] ; then
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AC_MSG_ERROR([IRPF90 should be installed: python3 -m pip install irpf90])
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fi
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######################################################
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# Check for MPI
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EPLF_HAS_MPI=0
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if [[ -z "$STATIC" ]] ; then
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AC_CHECK_PROGS([MPIRUN],[mpirun mpiexec],[])
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if [[ ! -z $MPIRUN ]] ; then
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MPIRUN=`which $MPIRUN`
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fi
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AC_CHECK_PROGS([MPIFC],[mpif90],[])
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if [[ -z $MPIFC ]] ; then
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echo "**************************"
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echo "Warning: MPI not found. You can get OpenMPI at:"
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echo "http://www.open-mpi.org/software/ompi/v1.4/downloads/openmpi-1.4.1.tar.gz"
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echo "**************************"
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else
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EPLF_HAS_MPI=1
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fi
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fi
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AC_SUBST([EPLF_HAS_MPI])
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# Test if Static zlib is present
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# ------------------------------
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AC_CHECK_LIB([z],[gzclose],[STATIC=1],[STATIC=0],[-static])
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STATIC_LIB="../EZFIO/lib/libezfio_irp.a"
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SHARED_LIB="-L../EZFIO/lib -lezfio"
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# Test Fortran
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# ------------
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AC_LANG([Fortran])
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AC_PROG_FC([mpif90 ifort gfortran],[Fortran 90])
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AC_PROG_FC_C_O
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AC_FC_SRCEXT([F90])
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AC_FC_FREEFORM
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case $FC in
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mpif90*)
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FCFLAGS="-fPIC -O2 -ffree-line-length-none -ffast-math "
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IRPF90="$IRPF90 -DMPI"
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;;
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ifort*)
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FCFLAGS="-O2 -xHost -ip"
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if test $STATIC == 1 ; then
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FCFLAGS="$FCFLAGS -static-intel -static-libgcc -static"
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fi
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;;
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gfortran*)
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FCFLAGS="-fPIC -O2 -ffast-math -ffree-line-length-none"
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if test $STATIC == 0 ; then
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FCFLAGS="$FCFLAGS -static-libgcc -static"
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fi
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;;
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esac
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AC_SUBST([FC])
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AC_SUBST([IRPF90])
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AC_SUBST([FCFLAGS])
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# Write make.config
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if [[ $STATIC = 1 ]] ; then
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LIB="$STATIC_LIB -lz"
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else
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LIB="$SHARED_LIB -lz"
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AC_MSG_WARN([
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=====================================================
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Using shared library. Add
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$EPLF_PATH/EZFIO/lib/
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to the LD_LIBRARY_PATH environment variable.
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=====================================================
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])
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fi
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AC_SUBST([LIB])
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cd $EPLF_PATH
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echo "export EPLF_PATH=$EPLF_PATH" > $HOME/.eplfrc
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echo "export LD_LIBRARY_PATH=\$EPLF_PATH/EZFIO/lib/:\$LD_LIBRARY_PATH" >> $HOME/.eplfrc
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echo "export PATH=\$EPLF_PATH/bin/":\$PATH >> $HOME/.eplfrc
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echo "export PATH=\$EPLF_PATH/scripts/:\$PATH" >> $HOME/.eplfrc
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echo "export EPLF_HAS_MPI=$EPLF_HAS_MPI" >> $HOME/.eplfrc
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echo "export EPLF_MPIRUN=$MPIRUN" >> $HOME/.eplfrc
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echo "************************************"
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echo "To finish the installation:"
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echo "1) Add the following line to your $HOME/.bashrc file:"
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echo ". $HOME/.eplfrc"
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echo "2) Execute"
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echo ". $HOME/.eplfrc"
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echo "make"
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echo "************************************"
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AC_OUTPUT
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