mirror of https://gitlab.com/QEF/q-e.git
381 lines
12 KiB
Makefile
381 lines
12 KiB
Makefile
# Copyright (C) 2001-2020 Quantum ESPRESSO Foundation
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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.inc
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# execute a target irrespective of the presence of a file or directory
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# with the same name
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.PHONY: install
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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 ' hp calculation of the Hubbard parameters from DFPT'
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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: Car-Parrinello molecular dynamics'
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@echo ' all_currents QEHeat code: energy flux and charge current'
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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 ' xspectra X-ray core-hole spectroscopy calculations'
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@echo ' couple Library interface for coupling to external codes'
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@echo ' epw Electron-Phonon Coupling with Wannier functions'
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@echo ' kcw KCW code: implementation of Koopmans functionals in primitive cell'
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@echo ' gui Graphical User Interface'
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@echo ' all same as "make pwall cp ld1 tddfpt xspectra hp"'
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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 ' yambo electronic excitations with plane waves'
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@echo ' d3q general third-order code and thermal transport codes'
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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 ' install copy all executables to PREFIX/bin/'
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@echo ' (works with "configure --prefix=PREFIX)"'
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@echo ' tar create a tarball of the source tree'
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@echo ' depend generate dependencies (make.depend files)'
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@if test -d GUI/; then \
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echo ' tar-gui create a standalone PWgui tarball from the GUI sources'; \
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echo ' tar-qe-modes create a tarball for QE-modes (Emacs major modes for Quantum ESPRESSO)'; fi
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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 : pwlibs
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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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cp : bindir mods
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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 : phlibs
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if test -d PHonon; then \
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( cd PHonon; $(MAKE) TLDEPS= all || exit 1) ; fi
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hp : hplibs
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if test -d HP; then \
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( cd HP; $(MAKE) TLDEPS= all || exit 1) ; fi
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neb : pwlibs
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if test -d NEB; then \
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( cd NEB; $(MAKE) TLDEPS= all || exit 1) ; fi
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tddfpt : lrmods
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if test -d TDDFPT; then \
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( cd TDDFPT; $(MAKE) TLDEPS= all || exit 1) ; fi
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pp : pwlibs
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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 : pwlibs
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if test -d PWCOND ; then \
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( cd PWCOND ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
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acfdt : phlibs
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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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gwl : phlibs
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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 : pwlibs
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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d3q : phlibs
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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ld1 : bindir mods
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if test -d atomic ; then \
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( cd atomic ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
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xspectra : pwlibs
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if test -d XSpectra ; then \
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( cd XSpectra ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
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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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epw: phlibs w90lib pp
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if test -d EPW ; then \
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( cd EPW ; $(MAKE) all || exit 1; \
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cd ../bin; ln -fs ../EPW/bin/epw.x . ); fi
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all_currents:
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if test -d QEHeat ; then \
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( cd QEHeat ; $(MAKE) all || exit 1; ) ; fi
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travis : pwall epw
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if test -d test-suite ; then \
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( cd test-suite ; make run-travis || exit 1 ) ; fi
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kcw : pwlibs lrmods pp w90lib
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if test -d KCW ; then \
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( cd KCW ; $(MAKE) all || exit 1 ) ; fi
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gui : bindir
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@if test -d GUI/PWgui ; then \
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cd GUI/PWgui ; \
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$(MAKE) TLDEPS= init; \
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echo ; \
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echo " ------------------------------------------------------------"; \
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echo " PWgui was built in ./GUI/PWgui/ and a link was made in bin/."; \
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echo " ------------------------------------------------------------"; \
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echo " Try it either as: "; \
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echo " ./GUI/PWgui/pwgui" ; \
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echo " or"; \
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echo " ./bin/pwgui";\
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echo ; \
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else \
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echo ; \
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echo " Sorry, GUI/PWgui directory does not exist !" ; \
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echo ; \
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fi
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pwall : pw neb ph pp pwcond acfdt
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all : pwall cp ld1 tddfpt hp xspectra gwl kcw
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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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pwlibs: bindir mods libks_solvers dftd3
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if test -d PW ; then \
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( cd PW ; $(MAKE) pw-lib || exit 1) ; fi
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phlibs: pwlibs lrmods
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if test -d PHonon; then \
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( cd PHonon; $(MAKE) ph-lib || exit 1) ; fi
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hplibs: pwlibs lrmods
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if test -d HP; then \
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( cd HP; $(MAKE) hp-lib || exit 1) ; fi
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gwwlib : phlibs
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if test -d GWW ; then \
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( cd GWW ; $(MAKE) gwwa || exit 1 ) ; fi
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pw4gwwlib : phlibs
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if test -d GWW ; then \
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( cd GWW ; $(MAKE) pw4gwwa || exit 1 ) ; fi
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mods : $(FOX) libutil libla libfft libupf libmbd librxc
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( cd Modules ; $(MAKE) TLDEPS= all || exit 1 )
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libks_solvers : libutil libla
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( cd KS_Solvers ; $(MAKE) TLDEPS= all || exit 1 )
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libla : $(LAPACK) libutil libcuda
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( cd LAXlib ; $(MAKE) TLDEPS= all || exit 1 )
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libfft :
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( cd FFTXlib ; $(MAKE) TLDEPS= all || exit 1 )
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librxc :
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( cd XClib ; $(MAKE) TLDEPS= all || exit 1 )
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libutil :
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( cd UtilXlib ; $(MAKE) TLDEPS= all || exit 1 )
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libupf : libutil libcuda
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( cd upflib ; $(MAKE) TLDEPS= all || exit 1 )
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lrmods : mods pwlibs
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( cd LR_Modules ; $(MAKE) TLDEPS= all || exit 1 )
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dftd3 : mods
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( cd dft-d3 ; $(MAKE) TLDEPS= all || 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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liblapack:
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cd install ; $(MAKE) -f extlibs_makefile $@
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libfox:
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cd install ; $(MAKE) -f extlibs_makefile $@
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libcuda:
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cd install ; $(MAKE) -f extlibs_makefile $@
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libmbd:
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cd install ; $(MAKE) -f extlibs_makefile $@
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#########################################################
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# plugins
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#########################################################
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w90: w90lib
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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w90lib: bindir $(LAPACK)
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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want: $(LAPACK)
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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yambo: $(LAPACK)
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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#########################################################
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# "make links" produces links to all executables in bin/
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#########################################################
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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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)
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#############################################################
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# 'make install' works with "configure --prefix=PREFIX"
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# - If the PREFIX/bin directory does not exists it creates it
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#############################################################
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install :
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mkdir -p $(PREFIX)/bin ; \
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for x in `find * ! -path "test-suite/*" -name *.x -type f` ; do \
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cp -v $$x $(PREFIX)/bin/ ; done
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@echo -e '\nQuantum ESPRESSO binaries are installed in $(PREFIX)/bin\n'
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#########################################################
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# Other targets: clean up
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#########################################################
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# remove object files and executables
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clean :
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touch make.inc
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for dir in \
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CPV LAXlib FFTXlib XClib UtilXlib upflib Modules PP PW EPW KS_Solvers \
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NEB ACFDT COUPLE GWW XSpectra PWCOND dft-d3 \
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atomic LR_Modules upflib \
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dev-tools extlibs Environ TDDFPT PHonon HP GWW Doc GUI \
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QEHeat KCW \
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; do \
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if test -d $$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 tempdir
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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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- (cd install ; rm -rf config.log configure.msg config.status \
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configure.h make_wannier90.inc autom4te.cache )
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- (cd include; rm -rf configure.in qe_cdefs.h )
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- rm -f espresso.tar.gz
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- rm -rf make.inc
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- rm -rf FoX
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- rm -rf MBD
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# remove everything not in the original distribution
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distclean : veryclean
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- cd pseudo; ./clean_ps ; cd -
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- (cd install ; $(MAKE) -f plugins_makefile $@)
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- git submodule deinit --all --force # place deinit at the very end such that makefiles clean up as much as possible.
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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 init 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 git sources !!!" ; \
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echo ; \
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fi
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tar-qe-modes :
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@if test -d GUI/QE-modes ; then \
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cd GUI/QE-modes ; \
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$(MAKE) TLDEPS= veryclean tar; \
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mv QE-modes-*.tar.gz ../.. ; \
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else \
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echo ; \
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echo " Sorry, tar-qe-modes works only for git 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 the user guide,
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# "latex2html" and "convert" (from Image-Magick) are needed.
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doc :
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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:
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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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