2003-11-13 02:46:27 +08:00
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#!/bin/sh
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2004-02-26 22:15:10 +08:00
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# compute dependencies for the PWscf directory tree
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2003-11-13 02:46:27 +08:00
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2006-12-12 19:02:09 +08:00
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# make sure there is no locale setting creating unneeded differences.
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LC_ALL=C
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export LC_ALL
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2003-11-22 00:39:48 +08:00
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# run from directory where this script is
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cd `echo $0 | sed 's/\(.*\)\/.*/\1/'` # extract pathname
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2003-11-13 02:46:27 +08:00
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TOPDIR=`pwd`
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2006-10-20 05:17:24 +08:00
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if test $# = 0
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then
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2017-07-26 19:15:20 +08:00
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dirs=" LAXlib FFTXlib UtilXlib Modules clib LR_Modules upftools \
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KS_Solvers/Davidson KS_Solvers/Davidson_RCI KS_Solvers/CG \
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2016-08-29 20:42:14 +08:00
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PW/src CPV/src PW/tools upftools PP/src PWCOND/src \
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2016-11-20 02:24:14 +08:00
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PHonon/Gamma PHonon/PH PHonon/FD atomic/src \
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2016-08-29 20:42:14 +08:00
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XSpectra/src ACFDT/src NEB/src TDDFPT/src \
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GWW/pw4gww GWW/gww GWW/head GWW/bse"
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2009-08-07 20:03:16 +08:00
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2013-10-29 19:29:34 +08:00
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elif
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test $1 = "-addson"
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then
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2014-05-07 18:28:16 +08:00
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echo "The script for adding new dependencies is running"
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echo "Usage: $0 -addson DIR DEPENDENCY_DIRS"
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2013-10-29 19:29:34 +08:00
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echo "$0 assumes that the new dependencies are in $TOPDIR/../"
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# ninput=$#
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# echo "number of input arguments: $ninput"
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dirs=$2
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shift
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shift
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add_deps=$*
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echo "dependencies in $add_deps will be searched for $dirs"
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2006-10-20 05:17:24 +08:00
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else
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dirs=$*
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fi
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2013-10-29 19:29:34 +08:00
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2011-09-09 22:33:57 +08:00
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for dir in $dirs; do
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2011-09-09 22:26:59 +08:00
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# the following command removes a trailing slash
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DIR=`echo ${dir%/}`
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2011-09-09 22:33:57 +08:00
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# the following would also work
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#DIR=`echo $dir | sed "s,/$,,"`
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2009-10-20 03:49:13 +08:00
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# set inter-directory dependencies - only directories containing
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# modules that are used, or files that are included, by routines
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2009-11-07 01:28:19 +08:00
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# in directory DIR should be listed in DEPENDS
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2011-08-31 18:48:55 +08:00
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LEVEL1=..
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LEVEL2=../..
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2016-01-19 05:07:04 +08:00
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# default
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DEPENDS="$LEVEL1/include"
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# for convenience, used later
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2017-07-26 19:15:20 +08:00
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DEPEND1="$LEVEL1/include $LEVEL1/iotk/src $LEVEL1/FFTXlib $LEVEL1/LAXlib $LEVEL1/UtilXlib"
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DEPEND2="$LEVEL2/include $LEVEL2/iotk/src $LEVEL2/FFTXlib $LEVEL2/LAXlib $LEVEL2/UtilXlib \
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2016-08-29 20:42:14 +08:00
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$LEVEL2/Modules"
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2017-07-26 19:15:20 +08:00
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DEPEND3="$LEVEL2/include $LEVEL2/FFTXlib $LEVEL2/LAXlib $LEVEL2/UtilXlib"
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2007-02-09 20:42:37 +08:00
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case $DIR in
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2016-01-19 05:07:04 +08:00
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Modules )
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2017-07-28 20:32:24 +08:00
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DEPENDS="$DEPEND1 $LEVEL1/UtilXlib" ;;
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KS_Solvers directory has been created with three subdirectories:
KS_Solvers/CG, KS_Solvers/Davidson, KS_Solvers/Davidson_RCI.
Two are currently used by QE, the third one implements the Davidson
diagonalization within the Reverse Communication Interface paradigm,
courtesy of Micael Oliveira.
KS_Solvers routines depend only on lower level libraries, notably UtilXlib,
LAXlib, (SCA)LAPACK, and BLAS.
reorganization can be improved. For instance some duplicated routines like
cdiaghg and rdiaghg could/should be moved in LAXlib. This could reduce the need
to include KS_Solvers directories in the link step of many codes.
Minimal changes to calling sequence have been made, essentially just adding
h_psi,s_psi,g_psi and h_1psi,s_1psi routines names as arguments (with a
specific calling sequence ihardcode inside the routines that agree with PWSCF one).
This could be avoided adopting the RCI paradigm.
Compiled in serial and parallel, 177/182 pw tests passed (3 that were failing
even before on my laptop pw-berry, pw-langevin, pw-pawatom + 2 unknown==not tested),
12 /17 cp tests passed (some o2-us-para-pbe-X fail but the same was for the
original version)
I assume the modified calling procedure is working and the problem lies somewhere else.
Randomly tested some examples in pw, ph, pwcond and it seams to work.
Please report any problem.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13644 c92efa57-630b-4861-b058-cf58834340f0
2017-07-29 20:19:19 +08:00
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LAXlib )
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2017-08-09 05:44:44 +08:00
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DEPENDS="$LEVEL1/UtilXlib " ;;
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2016-01-26 21:06:44 +08:00
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upftools )
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2016-01-19 05:07:04 +08:00
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DEPENDS="$DEPEND1 $LEVEL1/Modules" ;;
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LR_Modules )
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DEPENDS="$DEPEND1 $LEVEL1/Modules $LEVEL1/PW/src" ;;
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2016-04-05 04:16:41 +08:00
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ACFDT/src )
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DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/PHonon/PH $LEVEL2/LR_Modules" ;;
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KS_Solvers directory has been created with three subdirectories:
KS_Solvers/CG, KS_Solvers/Davidson, KS_Solvers/Davidson_RCI.
Two are currently used by QE, the third one implements the Davidson
diagonalization within the Reverse Communication Interface paradigm,
courtesy of Micael Oliveira.
KS_Solvers routines depend only on lower level libraries, notably UtilXlib,
LAXlib, (SCA)LAPACK, and BLAS.
reorganization can be improved. For instance some duplicated routines like
cdiaghg and rdiaghg could/should be moved in LAXlib. This could reduce the need
to include KS_Solvers directories in the link step of many codes.
Minimal changes to calling sequence have been made, essentially just adding
h_psi,s_psi,g_psi and h_1psi,s_1psi routines names as arguments (with a
specific calling sequence ihardcode inside the routines that agree with PWSCF one).
This could be avoided adopting the RCI paradigm.
Compiled in serial and parallel, 177/182 pw tests passed (3 that were failing
even before on my laptop pw-berry, pw-langevin, pw-pawatom + 2 unknown==not tested),
12 /17 cp tests passed (some o2-us-para-pbe-X fail but the same was for the
original version)
I assume the modified calling procedure is working and the problem lies somewhere else.
Randomly tested some examples in pw, ph, pwcond and it seams to work.
Please report any problem.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13644 c92efa57-630b-4861-b058-cf58834340f0
2017-07-29 20:19:19 +08:00
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atomic/src | GWW/gww )
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2016-01-19 05:07:04 +08:00
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DEPENDS="$DEPEND2" ;;
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KS_Solvers directory has been created with three subdirectories:
KS_Solvers/CG, KS_Solvers/Davidson, KS_Solvers/Davidson_RCI.
Two are currently used by QE, the third one implements the Davidson
diagonalization within the Reverse Communication Interface paradigm,
courtesy of Micael Oliveira.
KS_Solvers routines depend only on lower level libraries, notably UtilXlib,
LAXlib, (SCA)LAPACK, and BLAS.
reorganization can be improved. For instance some duplicated routines like
cdiaghg and rdiaghg could/should be moved in LAXlib. This could reduce the need
to include KS_Solvers directories in the link step of many codes.
Minimal changes to calling sequence have been made, essentially just adding
h_psi,s_psi,g_psi and h_1psi,s_1psi routines names as arguments (with a
specific calling sequence ihardcode inside the routines that agree with PWSCF one).
This could be avoided adopting the RCI paradigm.
Compiled in serial and parallel, 177/182 pw tests passed (3 that were failing
even before on my laptop pw-berry, pw-langevin, pw-pawatom + 2 unknown==not tested),
12 /17 cp tests passed (some o2-us-para-pbe-X fail but the same was for the
original version)
I assume the modified calling procedure is working and the problem lies somewhere else.
Randomly tested some examples in pw, ph, pwcond and it seams to work.
Please report any problem.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13644 c92efa57-630b-4861-b058-cf58834340f0
2017-07-29 20:19:19 +08:00
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PW/src | CPV/src )
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2017-10-16 23:02:12 +08:00
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DEPENDS="$DEPEND2 ../../KS_Solvers/Davidson ../../KS_Solvers/CG ../../dft-d3" ;;
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2017-07-26 19:15:20 +08:00
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KS_Solvers/Davidson | KS_Solvers/Davidson_RCI | KS_Solvers/CG )
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DEPENDS="$DEPEND3" ;;
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2016-03-25 03:14:59 +08:00
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PW/tools | PP/src | PWCOND/src | GWW/pw4gww | NEB/src )
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DEPENDS="$DEPEND2 $LEVEL2/PW/src" ;;
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PHonon/FD | PHonon/PH | PHonon/Gamma | XSpectra/src | GIPAW/src )
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2016-01-19 06:48:44 +08:00
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DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/LR_Modules" ;;
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2016-11-20 02:24:14 +08:00
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GWW/head | TDDFPT/src )
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2016-01-19 06:48:44 +08:00
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DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/PHonon/PH $LEVEL2/LR_Modules" ;;
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2016-03-21 19:31:57 +08:00
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GWW/bse )
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2016-11-20 02:24:14 +08:00
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DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/PHonon/PH $LEVEL2/LR_Modules $LEVEL2/GWW/pw4gww $LEVEL2/GWW/gww" ;;
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2013-10-29 19:29:34 +08:00
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*)
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# if addson needs a make.depend file
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2013-10-29 19:48:29 +08:00
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DEPENDS="$DEPENDS $add_deps"
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2011-12-15 01:33:33 +08:00
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2004-02-26 22:15:10 +08:00
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esac
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2003-11-13 02:46:27 +08:00
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2010-08-23 21:12:29 +08:00
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# generate dependencies file (only for directories that are present)
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2009-09-11 21:28:47 +08:00
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if test -d $TOPDIR/../$DIR
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2004-02-26 22:15:10 +08:00
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then
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2009-09-11 21:28:47 +08:00
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cd $TOPDIR/../$DIR
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2009-08-07 20:03:16 +08:00
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2004-11-09 18:53:55 +08:00
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$TOPDIR/moduledep.sh $DEPENDS > make.depend
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2005-03-18 19:11:04 +08:00
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$TOPDIR/includedep.sh $DEPENDS >> make.depend
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2003-11-13 02:46:27 +08:00
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2016-11-28 05:43:15 +08:00
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# handle special cases: modules for C-fortran binding, hdf5, MPI
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sed '/@iso_c_binding@/d' make.depend > make.depend.tmp
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sed '/@hdf5@/d;/@mpi@/d' make.depend.tmp > make.depend
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2017-07-29 04:01:07 +08:00
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sed '/@fox_wxml@/d' make.depend > make.depend.tmp
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sed '/@fox_dom@/d' make.depend.tmp > make.depend
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2011-04-28 19:46:36 +08:00
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2015-11-21 18:37:48 +08:00
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if test "$DIR" = "FFTXlib"
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2012-09-29 19:05:45 +08:00
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then
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2016-11-28 05:43:15 +08:00
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sed '/@mkl_dfti/d' make.depend > make.depend.tmp
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sed '/@fftw3.f/d;s/@fftw.c@/fftw.c/' make.depend.tmp > make.depend
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2016-01-24 04:10:40 +08:00
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fi
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if test "$DIR" = "LAXlib"
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then
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2016-11-28 05:43:15 +08:00
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sed '/@elpa1@/d' make.depend > make.depend.tmp
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cp make.depend.tmp make.depend
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2012-09-29 19:05:45 +08:00
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fi
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2017-07-26 19:15:20 +08:00
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if test "$DIR" = "UtilXlib"
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then
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sed '/@elpa1@/d' make.depend > make.depend.tmp
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sed '/@ifcore@/d' make.depend.tmp > make.depend
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fi
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if test "$DIR" = "KS_Solvers/Davidson"
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then
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sed '/@elpa1@/d' make.depend > make.depend.tmp
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sed '/@ifcore@/d' make.depend.tmp > make.depend
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fi
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if test "$DIR" = "KS_Solvers/Davidson_RCI"
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then
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sed '/@elpa1@/d' make.depend > make.depend.tmp
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sed '/@ifcore@/d' make.depend.tmp > make.depend
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fi
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if test "$DIR" = "KS_Solvers/CG"
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then
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sed '/@elpa1@/d' make.depend > make.depend.tmp
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sed '/@ifcore@/d' make.depend.tmp > make.depend
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fi
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2015-11-21 18:37:48 +08:00
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if test "$DIR" = "Modules"
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2010-08-23 21:12:29 +08:00
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then
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2016-08-29 20:42:14 +08:00
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2016-11-28 05:43:15 +08:00
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sed '/@elpa1@/d' make.depend > make.depend.tmp
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2016-08-29 20:42:14 +08:00
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sed '/@ifcore@/d' make.depend.tmp > make.depend
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2010-08-23 21:12:29 +08:00
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fi
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2005-03-18 19:24:02 +08:00
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2014-04-04 17:36:29 +08:00
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if test "$DIR" = "PW/src" || test "$DIR" = "TDDFPT/src"
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2011-04-28 18:58:42 +08:00
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then
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2015-07-29 22:15:46 +08:00
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sed '/@environ_/d;/@solvent_tddfpt@/d' make.depend > make.depend.tmp
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2017-07-15 22:24:22 +08:00
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cp make.depend.tmp make.depend
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2014-02-09 02:25:10 +08:00
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fi
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2016-01-09 00:03:06 +08:00
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if test "$DIR" = "CPV/src"
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then
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sed '/@f90_unix_proc@/d' make.depend > make.depend.tmp
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cp make.depend.tmp make.depend
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fi
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2010-08-23 21:12:29 +08:00
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rm -f make.depend.tmp
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2006-06-23 23:47:59 +08:00
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2010-08-23 21:12:29 +08:00
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# check for missing dependencies
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if grep @ make.depend
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then
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notfound=1
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echo WARNING: dependencies not found in directory $DIR
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else
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echo directory $DIR : ok
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fi
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2013-10-29 19:29:34 +08:00
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else
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2014-05-07 20:14:35 +08:00
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echo directory $DIR : not present in $TOPDIR
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2004-02-26 22:15:10 +08:00
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fi
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2003-11-13 02:46:27 +08:00
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done
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2005-03-18 19:30:21 +08:00
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if test "$notfound" = ""
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then
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echo all dependencies updated successfully
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fi
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