Makefile

# Copyright (C) 2001-2016 Quantum ESPRESSO group
# 
# This program is free software; you can redistribute it and/or
# modify it under the terms of the GNU General Public License
# as published by the Free Software Foundation; either version 2
# of the License. See the file `License' in the root directory
# of the present distribution.

include make.sys

default :
	@echo 'to install Quantum ESPRESSO, type at the shell prompt:'
	@echo '  ./configure [--prefix=]'
	@echo '  make [-j] target'
	@echo ' '
	@echo 'where target identifies one or multiple CORE PACKAGES:'
	@echo '  pw           basic code for scf, structure optimization, MD'
	@echo '  ph           phonon code, Gamma-only and third-order derivatives'
	@echo '  pwcond       ballistic conductance'
	@echo '  neb          code for Nudged Elastic Band method'
	@echo '  pp           postprocessing programs'
	@echo '  pwall        same as "make pw ph pp pwcond neb"'
	@echo '  cp           CP code: CP MD with ultrasoft pseudopotentials'
	@echo '  tddfpt       time dependent dft code'
	@echo '  gwl          GW with Lanczos chains'
	@echo '  ld1          utilities for pseudopotential generation'
	@echo '  upf          utilities for pseudopotential conversion'
	@echo '  xspectra     X-ray core-hole spectroscopy calculations'
	@echo '  couple       Library interface for coupling to external codes'
	@if test -d GUI/; then \
		echo '  gui          Graphical User Interface'; fi
	@echo '  test-suite   Run semi-automated test-suite for regression testing'
	@echo '  all          same as "make pwall cp ld1 upf tddfpt"'
	@echo ' '
	@echo 'where target identifies one or multiple THIRD-PARTIES PACKAGES:'
	@echo '  gipaw        NMR and EPR spectra'
	@echo '  w90          Maximally localised Wannier Functions'
	@echo '  want         Quantum Transport with Wannier functions'
	@echo '  west         Many-body perturbation corrections Without Empty STates'
#	@echo '  SaX          Standard GW-BSE with plane waves'
	@echo '  yambo        electronic excitations with plane waves'
	@echo '  yambo-devel  yambo devel version'
	@echo '  plumed       Metadynamics plugin for pw or cp'
	@echo '  epw          Electron-Phonon Coupling with wannier functions'
	@echo '  gpu          Download the latest QE-GPU package'
	@echo ' '
	@echo 'where target is one of the following suite operation:'
	@echo '  doc          build documentation'
	@echo '  links        create links to all executables in bin/'
	@echo '  tar          create a tarball of the source tree'
	@echo '  tar-gui      create a standalone PWgui tarball from the GUI sources'
	@echo '  clean        remove executables and objects'
	@echo '  veryclean    remove files produced by "configure" as well'
	@echo '  distclean    revert distribution to the original status'

###########################################################
# Main targets
###########################################################

# The syntax "( cd PW ; $(MAKE) TLDEPS= all || exit 1)" below
# guarantees that error code 1 is returned in case of error and make stops
# If "|| exit 1" is not present, the error code from make in subdirectories
# is not returned and make goes on even if compilation has failed

pw : bindir libfft mods liblapack libblas libs libiotk 
	if test -d PW ; then \
	( cd PW ; $(MAKE) TLDEPS= all || exit 1) ; fi

pw-lib : bindir libfft mods liblapack libblas libs libiotk
	if test -d PW ; then \
	( cd PW ; $(MAKE) TLDEPS= pw-lib || exit 1) ; fi

cp : bindir libfft mods liblapack libblas libs libiotk
	if test -d CPV ; then \
	( cd CPV ; $(MAKE) TLDEPS= all || exit 1) ; fi

ph : bindir libfft mods libs pw
	( cd install ; $(MAKE) -f plugins_makefile phonon || exit 1 )

neb : bindir libfft mods libs pw
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

tddfpt : bindir libfft mods libs pw ph
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

pp : bindir libfft mods libs pw
	if test -d PP ; then \
	( cd PP ; $(MAKE) TLDEPS= all || exit 1 ) ; fi

pwcond : bindir libfft mods libs pw pp
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

acfdt : bindir libfft mods libs pw ph
	if test -d ACFDT ; then \
	( cd ACFDT ; $(MAKE) TLDEPS= all || exit 1 ) ; fi

# target still present for backward compatibility
gww:
	@echo '"make gww" is obsolete, use "make gwl" instead '

gwl : ph
	if test -d GWW ; then \
	( cd GWW ; $(MAKE) TLDEPS= all || exit 1 ) ; fi

gipaw : pw
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

ld1 : bindir liblapack libblas libfft mods libs
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

upf : libfft mods libs liblapack libblas
	if test -d upftools ; then \
	( cd upftools ; $(MAKE) TLDEPS= all || exit 1 ) ; fi

pw_export : libiotk bindir libfft mods libs pw
	if test -d PP ; then \
	( cd PP ; $(MAKE) TLDEPS= pw_export.x || exit 1 ) ; fi

xspectra : bindir libfft mods libs pw
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

couple : pw cp
	if test -d COUPLE ; then \
	( cd COUPLE ; $(MAKE) TLDEPS= all || exit 1 ) ; fi

gui : touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

pwall : pw neb ph pp pwcond acfdt

all   : pwall cp ld1 upf tddfpt gwl xspectra

###########################################################
# Auxiliary targets used by main targets:
# compile modules, libraries, directory for binaries, etc
###########################################################

libfft : touch-dummy
	( cd FFTXlib ; $(MAKE) TLDEPS= all || exit 1 )

mods : libiotk libelpa libfft
	( cd Modules ; $(MAKE) TLDEPS= all || exit 1 )

libs : mods
	( cd clib ; $(MAKE) TLDEPS= all || exit 1 )
	( cd flib ; $(MAKE) TLDEPS= $(FLIB_TARGETS) || exit 1 )

bindir :
	test -d bin || mkdir bin

#############################################################
# Targets for external libraries
############################################################

libblas : touch-dummy
	cd install ; $(MAKE) -f extlibs_makefile $@

liblapack: touch-dummy
	cd install ; $(MAKE) -f extlibs_makefile $@

libelpa: touch-dummy
	cd install ; $(MAKE) -f extlibs_makefile $@

libiotk: touch-dummy
	cd install ; $(MAKE) -f extlibs_makefile $@

# In case of trouble with iotk and compilers, add
# FFLAGS="$(FFLAGS_NOOPT)" after $(MFLAGS)


#########################################################
# plugins
#########################################################

w90: bindir libblas liblapack
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

want : touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

SaX : touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

yambo: touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

yambo-devel: touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

plumed: touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

west: pw touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

epw: touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

gpu: touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

touch-dummy :
	$(dummy-variable)

#########################################################
# "make links" produces links to all executables in bin/
# while "make inst" INSTALLDIR=/some/place" links all
# available executables to /some/place/ (must exist and
# be writable), prepending "qe_" to all executables (e.g.:
# /some/place/qe_pw.x). This allows installation of QE
# into system directories with no danger of name conflicts
#########################################################

inst : 
	( for exe in */*/*.x */bin/* ; do \
	   file=`basename $$exe`; if test "$(INSTALLDIR)" != ""; then \
		if test ! -L $(PWD)/$$exe; then \
			ln -fs $(PWD)/$$exe $(INSTALLDIR)/qe_$$file ; fi ; \
		fi ; \
	done )

# Contains workaround for name conflicts (dos.x and bands.x) with WANT
links : bindir
	( cd bin/ ; \
	rm -f *.x ; \
	for exe in ../*/*/*.x ../*/bin/* ; do \
	    if test ! -L $$exe ; then ln -fs $$exe . ; fi \
	done ; \
	[ -f ../WANT/wannier/dos.x ] && \
		ln -fs ../WANT/wannier/dos.x ../bin/dos_want.x ; \
	[ -f ../PP/src/dos.x ] &&  \
		ln -fs ../PP/src/dos.x ../bin/dos.x ; \
	[ -f ../WANT/wannier/bands.x ] && \
		ln -fs ../WANT/wannier/bands.x ../bin/bands_want.x ; \
	[ -f ../PP/src/dos.x ] &&  ln -fs ../PP/src/bands.x ../bin/bands.x ; \
	[ -f ../W90/wannier90.x ] &&  ln -fs ../W90/wannier90.x ../bin/wannier90.x ;\
	)

#########################################################
# 'make install' works based on --with-prefix
# - If the final directory does not exists it creates it
#########################################################

install : touch-dummy
	if test -d bin ; then \
	mkdir -p $(PREFIX) ; for x in `find . -name *.x -type f` ; do \
		cp $$x $(PREFIX)/ ; done ; \
	fi

#########################################################
# Run test-suite for numerical regression testing
# NB: it is assumed that reference outputs have been 
#     already computed once (usualy during release)
#########################################################

test-suite: pw cp touch-dummy
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

#########################################################
# Other targets: clean up
#########################################################

# remove object files and executables
clean : doc_clean
	touch make.sys 
	for dir in \
		CPV FFTXlib Modules PP PW \
		ACFDT COUPLE GWW XSpectra \
		clib flib pwtools upftools \
		dev-tools extlibs Environ TDDFPT \
	; do \
	    if test -d $$dir ; then \
		( cd $$dir ; \
		$(MAKE) TLDEPS= clean ) \
	    fi \
	done
	- @(cd install ; $(MAKE) -f plugins_makefile clean)
	- @(cd install ; $(MAKE) -f extlibs_makefile clean)
	- /bin/rm -rf bin/*.x tmp
	- cd PW/tests; /bin/rm -rf CRASH *.out *.out? ; cd -
	- cd CPV/tests; /bin/rm -rf CRASH *.out *.out? 

# remove files produced by "configure" as well
veryclean : clean
	- @(cd install ; $(MAKE) -f plugins_makefile veryclean)
	- @(cd install ; $(MAKE) -f extlibs_makefile veryclean)
	- rm -rf install/patch-plumed
	- cd install ; rm -f config.log configure.msg config.status \
	CPV/version.h ChangeLog* intel.pcl */intel.pcl
	- cd install ; rm -fr autom4te.cache
	- cd pseudo; ./clean_ps ; cd -
	- cd install; ./clean.sh ; cd -
	- cd include; ./clean.sh ; cd -
	- rm -f espresso.tar.gz
	- rm -rf make.sys

# remove everything not in the original distribution 
distclean : veryclean
	( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

tar :
	@if test -f espresso.tar.gz ; then /bin/rm espresso.tar.gz ; fi
	# do not include unneeded stuff 
	find ./ -type f | grep -v -e /.svn/ -e'/\.' -e'\.o$$' \
             -e'\.mod$$' -e'\.a$$' -e'\.d$$' -e'\.i$$' -e'\.F90$$' -e'\.x$$' \
	     -e'~$$' -e'\./GUI' -e '\./tempdir' | xargs tar rvf espresso.tar
	gzip espresso.tar

#########################################################
# Tools for the developers
#########################################################
tar-gui :
	@if test -d GUI/PWgui ; then \
	    cd GUI/PWgui ; \
	    $(MAKE) TLDEPS= clean svninit pwgui-source; \
	    mv PWgui-*.tgz ../.. ; \
	else \
	    echo ; \
	    echo "  Sorry, tar-gui works only for svn sources !!!" ; \
	    echo ; \
	fi

# NOTICE about "make doc": in order to build the .html and .txt
# documentation in Doc, "tcl", "tcllib", "xsltproc" are needed;
# in order to build the .pdf files in Doc, "pdflatex" is needed;
# in order to build html files for user guide and developer manual,
# "latex2html" and "convert" (from Image-Magick) are needed.
doc : touch-dummy
	if test -d Doc ; then \
	( cd Doc ; $(MAKE) TLDEPS= all ) ; fi
	for dir in */Doc; do \
	( if test -f $$dir/Makefile ; then \
	( cd $$dir; $(MAKE) TLDEPS= all ) ; fi ) ;  done

doc_clean :
	if test -d Doc ; then \
	( cd Doc ; $(MAKE) TLDEPS= clean ) ; fi
	for dir in */Doc; do \
	( if test -f $$dir/Makefile ; then \
	( cd $$dir; $(MAKE) TLDEPS= clean ) ; fi ) ;  done

depend:
	@echo 'Checking dependencies...'
	- ( if test -x install/makedeps.sh ; then install/makedeps.sh ; fi)