mirror of https://gitlab.com/QEF/q-e.git
356 lines
12 KiB
Makefile
356 lines
12 KiB
Makefile
# Copyright (C) 2001-2016 Quantum ESPRESSO group
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#
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# This program is free software; you can redistribute it and/or
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# modify it under the terms of the GNU General Public License
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# as published by the Free Software Foundation; either version 2
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# of the License. See the file `License' in the root directory
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# of the present distribution.
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include make.sys
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default :
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@echo 'to install Quantum ESPRESSO, type at the shell prompt:'
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@echo ' ./configure [--prefix=]'
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@echo ' make [-j] target'
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@echo ' '
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@echo 'where target identifies one or multiple CORE PACKAGES:'
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@echo ' pw basic code for scf, structure optimization, MD'
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@echo ' ph phonon code, Gamma-only and third-order derivatives'
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@echo ' pwcond ballistic conductance'
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@echo ' neb code for Nudged Elastic Band method'
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@echo ' pp postprocessing programs'
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@echo ' pwall same as "make pw ph pp pwcond neb"'
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@echo ' cp CP code: CP MD with ultrasoft pseudopotentials'
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@echo ' tddfpt time dependent dft code'
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@echo ' gwl GW with Lanczos chains'
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@echo ' ld1 utilities for pseudopotential generation'
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@echo ' upf utilities for pseudopotential conversion'
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@echo ' xspectra X-ray core-hole spectroscopy calculations'
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@echo ' couple Library interface for coupling to external codes'
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@if test -d GUI/; then \
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echo ' gui Graphical User Interface'; fi
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@echo ' test-suite Run semi-automated test-suite for regression testing'
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@echo ' all same as "make pwall cp ld1 upf tddfpt"'
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@echo ' '
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@echo 'where target identifies one or multiple THIRD-PARTIES PACKAGES:'
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@echo ' gipaw NMR and EPR spectra'
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@echo ' w90 Maximally localised Wannier Functions'
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@echo ' want Quantum Transport with Wannier functions'
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@echo ' west Many-body perturbation corrections Without Empty STates'
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# @echo ' SaX Standard GW-BSE with plane waves'
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@echo ' yambo electronic excitations with plane waves'
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@echo ' yambo-devel yambo devel version'
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@echo ' plumed Metadynamics plugin for pw or cp'
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@echo ' epw Electron-Phonon Coupling with wannier functions'
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@echo ' gpu Download the latest QE-GPU package'
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@echo ' '
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@echo 'where target is one of the following suite operation:'
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@echo ' doc build documentation'
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@echo ' links create links to all executables in bin/'
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@echo ' tar create a tarball of the source tree'
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@echo ' tar-gui create a standalone PWgui tarball from the GUI sources'
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@echo ' clean remove executables and objects'
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@echo ' veryclean remove files produced by "configure" as well'
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@echo ' distclean revert distribution to the original status'
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###########################################################
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# Main targets
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###########################################################
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# The syntax "( cd PW ; $(MAKE) TLDEPS= all || exit 1)" below
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# guarantees that error code 1 is returned in case of error and make stops
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# If "|| exit 1" is not present, the error code from make in subdirectories
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# is not returned and make goes on even if compilation has failed
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pw : bindir libfft libla mods liblapack libblas libs libiotk
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if test -d PW ; then \
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( cd PW ; $(MAKE) TLDEPS= all || exit 1) ; fi
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pw-lib : bindir libfft libla mods liblapack libblas libs libiotk
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if test -d PW ; then \
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( cd PW ; $(MAKE) TLDEPS= pw-lib || exit 1) ; fi
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lr-lib : bindir libfft libla mods liblapack libblas libs libiotk
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if test -d LR_Modules ; then \
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( cd LR_Modules ; $(MAKE) TLDEPS= all || exit 1) ; fi
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cp : bindir libfft libla mods liblapack libblas libs libiotk
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if test -d CPV ; then \
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( cd CPV ; $(MAKE) TLDEPS= all || exit 1) ; fi
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ph : bindir libfft libla mods libs pw lr-lib
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( cd install ; $(MAKE) -f plugins_makefile phonon || exit 1 )
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neb : bindir libfft libla mods libs pw
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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tddfpt : bindir libfft libla mods libs pw
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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pp : bindir libfft libla mods libs pw
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if test -d PP ; then \
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( cd PP ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
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pwcond : bindir libfft libla mods libs pw pp
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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acfdt : bindir libfft libla mods libs pw ph
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if test -d ACFDT ; then \
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( cd ACFDT ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
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# target still present for backward compatibility
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gww:
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@echo '"make gww" is obsolete, use "make gwl" instead '
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gwl : ph
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if test -d GWW ; then \
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( cd GWW ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
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gipaw : pw
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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ld1 : bindir liblapack libblas libfft libla mods libs
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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upf : libfft libla mods libs liblapack libblas
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if test -d upftools ; then \
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( cd upftools ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
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pw_export : libiotk bindir libfft mods libs pw
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if test -d PP ; then \
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( cd PP ; $(MAKE) TLDEPS= pw_export.x || exit 1 ) ; fi
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xspectra : bindir libfft mods libs pw
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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couple : pw cp
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if test -d COUPLE ; then \
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( cd COUPLE ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
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gui : touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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pwall : pw neb ph pp pwcond acfdt
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all : pwall cp ld1 upf tddfpt gwl xspectra
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###########################################################
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# Auxiliary targets used by main targets:
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# compile modules, libraries, directory for binaries, etc
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###########################################################
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libla : touch-dummy libelpa
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( cd LAXlib ; $(MAKE) TLDEPS= all || exit 1 )
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libfft : touch-dummy
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( cd FFTXlib ; $(MAKE) TLDEPS= all || exit 1 )
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mods : libiotk libla libfft
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( cd Modules ; $(MAKE) TLDEPS= all || exit 1 )
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libs : mods
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( cd clib ; $(MAKE) TLDEPS= all || exit 1 )
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lrmods :
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( cd LR_Modules ; $(MAKE) TLDEPS=lr-lib || exit 1 )
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bindir :
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test -d bin || mkdir bin
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#############################################################
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# Targets for external libraries
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############################################################
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libblas : touch-dummy
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cd install ; $(MAKE) -f extlibs_makefile $@
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liblapack: touch-dummy
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cd install ; $(MAKE) -f extlibs_makefile $@
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libelpa: touch-dummy
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cd install ; $(MAKE) -f extlibs_makefile $@
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libiotk: touch-dummy
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cd install ; $(MAKE) -f extlibs_makefile $@
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# In case of trouble with iotk and compilers, add
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# FFLAGS="$(FFLAGS_NOOPT)" after $(MFLAGS)
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#########################################################
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# plugins
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#########################################################
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w90: bindir libblas liblapack
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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want : touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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SaX : touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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yambo: touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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yambo-devel: touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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plumed: touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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west: pw touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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epw: pw ph ld1 touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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gpu: touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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touch-dummy :
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$(dummy-variable)
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#########################################################
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# "make links" produces links to all executables in bin/
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# while "make inst" INSTALLDIR=/some/place" links all
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# available executables to /some/place/ (must exist and
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# be writable), prepending "qe_" to all executables (e.g.:
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# /some/place/qe_pw.x). This allows installation of QE
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# into system directories with no danger of name conflicts
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#########################################################
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inst :
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( for exe in */*/*.x */bin/* ; do \
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file=`basename $$exe`; if test "$(INSTALLDIR)" != ""; then \
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if test ! -L $(PWD)/$$exe; then \
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ln -fs $(PWD)/$$exe $(INSTALLDIR)/qe_$$file ; fi ; \
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fi ; \
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done )
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# Contains workaround for name conflicts (dos.x and bands.x) with WANT
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links : bindir
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( cd bin/ ; \
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rm -f *.x ; \
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for exe in ../*/*/*.x ../*/bin/* ; do \
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if test ! -L $$exe ; then ln -fs $$exe . ; fi \
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done ; \
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[ -f ../WANT/wannier/dos.x ] && \
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ln -fs ../WANT/wannier/dos.x ../bin/dos_want.x ; \
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[ -f ../PP/src/dos.x ] && \
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ln -fs ../PP/src/dos.x ../bin/dos.x ; \
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[ -f ../WANT/wannier/bands.x ] && \
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ln -fs ../WANT/wannier/bands.x ../bin/bands_want.x ; \
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[ -f ../PP/src/dos.x ] && ln -fs ../PP/src/bands.x ../bin/bands.x ; \
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[ -f ../W90/wannier90.x ] && ln -fs ../W90/wannier90.x ../bin/wannier90.x ;\
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)
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#########################################################
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# 'make install' works based on --with-prefix
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# - If the final directory does not exists it creates it
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#########################################################
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install : touch-dummy
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@if test -d bin ; then mkdir -p $(PREFIX) ; \
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for x in `find . -path ./test-suite -prune -o -name *.x -type f` ; do \
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cp $$x $(PREFIX)/ ; done ; \
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fi
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@echo 'Quantum ESPRESSO binaries installed in $(PREFIX)'
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#########################################################
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# Run test-suite for numerical regression testing
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# NB: it is assumed that reference outputs have been
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# already computed once (usualy during release)
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#########################################################
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test-suite: pw cp touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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#########################################################
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# Other targets: clean up
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#########################################################
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# remove object files and executables
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clean : doc_clean
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touch make.sys
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for dir in \
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CPV LAXlib FFTXlib Modules PP PW \
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NEB ACFDT COUPLE GWW XSpectra \
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atomic clib LR_Modules pwtools upftools \
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dev-tools extlibs Environ TDDFPT \
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; do \
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if test -d $$dir ; then \
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( cd $$dir ; \
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$(MAKE) TLDEPS= clean ) \
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fi \
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done
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- @(cd install ; $(MAKE) -f plugins_makefile clean)
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- @(cd install ; $(MAKE) -f extlibs_makefile clean)
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- /bin/rm -rf bin/*.x tmp
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- cd PW/tests; /bin/rm -rf CRASH *.out *.out? ; cd -
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- cd CPV/tests; /bin/rm -rf CRASH *.out *.out?
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# remove files produced by "configure" as well
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veryclean : clean
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- @(cd install ; $(MAKE) -f plugins_makefile veryclean)
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- @(cd install ; $(MAKE) -f extlibs_makefile veryclean)
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- rm -rf install/patch-plumed
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- cd install ; rm -f config.log configure.msg config.status \
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CPV/version.h ChangeLog* intel.pcl */intel.pcl
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- cd install ; rm -fr autom4te.cache
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- cd pseudo; ./clean_ps ; cd -
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- cd install; ./clean.sh ; cd -
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- cd include; ./clean.sh ; cd -
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- rm -f espresso.tar.gz
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- rm -rf make.sys
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# remove everything not in the original distribution
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distclean : veryclean
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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tar :
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@if test -f espresso.tar.gz ; then /bin/rm espresso.tar.gz ; fi
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# do not include unneeded stuff
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find ./ -type f | grep -v -e /.svn/ -e'/\.' -e'\.o$$' -e'\.mod$$'\
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-e /.git/ -e'\.a$$' -e'\.d$$' -e'\.i$$' -e'_tmp\.f90$$' -e'\.x$$' \
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-e'~$$' -e'\./GUI' -e '\./tempdir' | xargs tar rvf espresso.tar
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gzip espresso.tar
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#########################################################
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# Tools for the developers
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#########################################################
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tar-gui :
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@if test -d GUI/PWgui ; then \
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cd GUI/PWgui ; \
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$(MAKE) TLDEPS= clean svninit pwgui-source; \
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mv PWgui-*.tgz ../.. ; \
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else \
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echo ; \
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echo " Sorry, tar-gui works only for svn sources !!!" ; \
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echo ; \
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fi
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# NOTICE about "make doc": in order to build the .html and .txt
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# documentation in Doc, "tcl", "tcllib", "xsltproc" are needed;
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# in order to build the .pdf files in Doc, "pdflatex" is needed;
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# in order to build html files for user guide and developer manual,
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# "latex2html" and "convert" (from Image-Magick) are needed.
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doc : touch-dummy
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if test -d Doc ; then \
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( cd Doc ; $(MAKE) TLDEPS= all ) ; fi
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for dir in */Doc; do \
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( if test -f $$dir/Makefile ; then \
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( cd $$dir; $(MAKE) TLDEPS= all ) ; fi ) ; done
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doc_clean :
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if test -d Doc ; then \
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( cd Doc ; $(MAKE) TLDEPS= clean ) ; fi
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for dir in */Doc; do \
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( if test -f $$dir/Makefile ; then \
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( cd $$dir; $(MAKE) TLDEPS= clean ) ; fi ) ; done
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depend: libiotk mods
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@echo 'Checking dependencies...'
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- ( if test -x install/makedeps.sh ; then install/makedeps.sh ; fi)
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