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# 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.inc
# execute a target irrespective of the presence of a file or directory
# with the same name
.PHONY: install
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 ' hp calculation of the Hubbard parameters from DFPT'
@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: Car-Parrinello molecular dynamics'
@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'
@echo ' epw Electron-Phonon Coupling with wannier functions'
@echo ' gui Graphical User Interface'
@echo ' examples fetch from web examples for all core packages'
@echo ' test-suite run semi-automated test-suite for regression testing'
@echo ' all same as "make pwall cp ld1 upf tddfpt hp"'
@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 ' SternheimerGW calculate GW using Sternheimer equations'
@echo ' plumed Metadynamics plugin for pw or cp'
@echo ' d3q general third-order code and thermal transport codes'
@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'
@if test -d GUI/; then \
echo ' tar-gui create a standalone PWgui tarball from the GUI sources'; \
echo ' tar-qe-modes create a tarball for QE-modes (Emacs major modes for Quantum ESPRESSO)'; fi
@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 : pwlibs
if test -d PW ; then \
( cd PW ; $(MAKE) TLDEPS= all || exit 1) ; fi
cp : bindir libs mods
if test -d CPV ; then \
( cd CPV ; $(MAKE) TLDEPS= all || exit 1) ; fi
ph : phlibs
if test -d PHonon; then \
( cd PHonon; $(MAKE) TLDEPS= all || exit 1) ; fi
hp : hplibs
if test -d HP; then \
( cd HP; $(MAKE) TLDEPS= all || exit 1) ; fi
neb : pwlibs
if test -d NEB; then \
( cd NEB; $(MAKE) TLDEPS= all || exit 1) ; fi
tddfpt : lrmods
if test -d TDDFPT; then \
( cd TDDFPT; $(MAKE) TLDEPS= all || exit 1) ; fi
pp : pwlibs
if test -d PP ; then \
( cd PP ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
pwcond : pwlibs
if test -d PWCOND ; then \
( cd PWCOND ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
acfdt : phlibs
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 : phlibs
if test -d GWW ; then \
( cd GWW ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
gipaw : pwlibs
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
d3q : phlibs
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
ld1 : bindir libs mods
if test -d atomic ; then \
( cd atomic ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
upf : libs mods
if test -d upftools ; then \
( cd upftools ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
xspectra : pwlibs
if test -d XSpectra ; then \
( cd XSpectra ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
couple : pw cp
if test -d COUPLE ; then \
( cd COUPLE ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
epw: phlibs
if test -d EPW ; then \
( cd EPW ; $(MAKE) all || exit 1; \
cd ../bin; ln -fs ../EPW/bin/epw.x . ); fi
travis : pwall epw
if test -d test-suite ; then \
( cd test-suite ; make run-travis || exit 1 ) ; fi
gui :
@if test -d GUI/PWgui ; then \
cd GUI/PWgui ; \
$(MAKE) TLDEPS= init; \
echo ; \
echo " PWgui has been built in ./GUI/PWgui/. You may try it either as: "; \
echo " ./GUI/PWgui/pwgui" ; \
echo " or"; \
echo " cd ./GUI/PWgui";\
echo " ./pwgui" ; \
echo ; \
else \
echo ; \
echo " Sorry, gui works only for git sources !!!" ; \
echo ; \
fi
examples :
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
pwall : pw neb ph pp pwcond acfdt
all : pwall cp ld1 upf tddfpt hp xspectra gwl
###########################################################
# Auxiliary targets used by main targets:
# compile modules, libraries, directory for binaries, etc
###########################################################
pwlibs: bindir libs mods libks_solvers dftd3
if test -d PW ; then \
( cd PW ; $(MAKE) pw-lib || exit 1) ; fi
phlibs: pwlibs lrmods
if test -d PHonon; then \
( cd PHonon; $(MAKE) ph-lib || exit 1) ; fi
hplibs: pwlibs lrmods
if test -d HP; then \
( cd HP; $(MAKE) hp-lib || exit 1) ; fi
gwwlib : phlibs
if test -d GWW ; then \
( cd GWW ; $(MAKE) gwwa || exit 1 ) ; fi
pw4gwwlib : phlibs
if test -d GWW ; then \
( cd GWW ; $(MAKE) pw4gwwa || exit 1 ) ; fi
mods : libiotk libfox libutil libla libfft
( cd Modules ; $(MAKE) TLDEPS= all || exit 1 )
libks_solvers : libs libutil libla
( cd KS_Solvers ; $(MAKE) TLDEPS= all || exit 1 )
libla : liblapack libutil libcuda
( cd LAXlib ; $(MAKE) TLDEPS= all || exit 1 )
libfft :
( cd FFTXlib ; $(MAKE) TLDEPS= all || exit 1 )
libutil :
( cd UtilXlib ; $(MAKE) TLDEPS= all || exit 1 )
libs :
( cd clib ; $(MAKE) TLDEPS= all || exit 1 )
lrmods : mods pwlibs
( cd LR_Modules ; $(MAKE) TLDEPS= all || exit 1 )
dftd3 : mods
( cd dft-d3 ; $(MAKE) TLDEPS= all || exit 1 )
bindir :
test -d bin || mkdir bin
#############################################################
# Targets for external libraries
############################################################
libblas :
cd install ; $(MAKE) -f extlibs_makefile $@
liblapack:
cd install ; $(MAKE) -f extlibs_makefile $@
libiotk:
cd install ; $(MAKE) -f extlibs_makefile $@
libfox:
cd install ; $(MAKE) -f extlibs_makefile $@
libcuda:
cd install ; $(MAKE) -f extlibs_makefile $@
# In case of trouble with iotk and compilers, add
# FFLAGS="$(FFLAGS_NOOPT)" after $(MFLAGS)
#########################################################
# plugins
#########################################################
w90: bindir liblapack
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
want :
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
SaX :
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
yambo:
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
yambo-devel:
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
plumed:
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
west: pw
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
SternheimerGW: lrmods
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
#########################################################
# "make links" produces links to all executables in bin/
#########################################################
# 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 with "configure --prefix=PREFIX"
# - If the PREFIX/bin directory does not exists it creates it
#############################################################
install :
mkdir -p $(PREFIX)/bin ; \
for x in `find * ! -path "test-suite/*" -name *.x -type f` ; do \
cp -v $$x $(PREFIX)/bin/ ; done
@echo -e '\nQuantum ESPRESSO binaries are installed in $(PREFIX)/bin\n'
#########################################################
# Run test-suite for numerical regression testing
# NB: it is assumed that reference outputs have been
# already computed once (usually during release)
#########################################################
test-suite: pw cp
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
#########################################################
# Other targets: clean up
#########################################################
# remove object files and executables
clean :
touch make.inc
for dir in \
CPV LAXlib FFTXlib UtilXlib Modules PP PW EPW KS_Solvers \
NEB ACFDT COUPLE GWW XSpectra PWCOND dft-d3 \
atomic clib LR_Modules pwtools upftools \
dev-tools extlibs Environ TDDFPT PHonon HP GWW Doc GUI \
; do \
if test -d $$dir ; then \
( cd $$dir ; \
$(MAKE) TLDEPS= clean ) \
fi \
done
- @(cd install ; $(MAKE) -f plugins_makefile clean)
- @(cd install ; $(MAKE) -f extlibs_makefile clean)
- /bin/rm -rf bin/*.x tempdir
# remove files produced by "configure" as well
veryclean : clean
- @(cd install ; $(MAKE) -f plugins_makefile veryclean)
- @(cd install ; $(MAKE) -f extlibs_makefile veryclean)
- rm -rf install/patch-plumed
- cd install ; rm -f config.log configure.msg config.status
- rm -rf include/configure.h install/make_wannier90.inc
- cd install ; rm -fr autom4te.cache
- cd install; ./clean.sh ; cd -
- cd include; ./clean.sh ; cd -
- rm -f espresso.tar.gz -
- rm -rf make.inc -
- rm -rf FoX
# remove everything not in the original distribution
distclean : veryclean
- cd pseudo; ./clean_ps ; cd -
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
tar :
@if test -f espresso.tar.gz ; then /bin/rm espresso.tar.gz ; fi
# do not include unneeded stuff
find ./ -type f | grep -v -e /.svn/ -e'/\.' -e'\.o$$' -e'\.mod$$'\
-e /.git/ -e'\.a$$' -e'\.d$$' -e'\.i$$' -e'_tmp\.f90$$' -e'\.x$$' \
-e'~$$' -e'\./GUI' -e '\./tempdir' | xargs tar rvf espresso.tar
gzip espresso.tar
#########################################################
# Tools for the developers
#########################################################
tar-gui :
@if test -d GUI/PWgui ; then \
cd GUI/PWgui ; \
$(MAKE) TLDEPS= clean init pwgui-source; \
mv PWgui-*.tgz ../.. ; \
else \
echo ; \
echo " Sorry, tar-gui works only for git sources !!!" ; \
echo ; \
fi
tar-qe-modes :
@if test -d GUI/QE-modes ; then \
cd GUI/QE-modes ; \
$(MAKE) TLDEPS= veryclean tar; \
mv QE-modes-*.tar.gz ../.. ; \
else \
echo ; \
echo " Sorry, tar-qe-modes works only for git sources !!!" ; \
echo ; \
fi
# NOTICE about "make doc": in order to build the .html and .txt
# documentation in Doc, "tcl", "tcllib", "xsltproc" are needed;
# in order to build the .pdf files in Doc, "pdflatex" is needed;
# in order to build html files for user guide and developer manual,
# "latex2html" and "convert" (from Image-Magick) are needed.
doc :
if test -d Doc ; then \
( cd Doc ; $(MAKE) VERSION=6.5 TLDEPS= all ) ; fi
for dir in */Doc; do \
( if test -f $$dir/Makefile ; then \
( cd $$dir; $(MAKE) VERSION=6.5 TLDEPS= all ) ; fi ) ; done
doc_clean :
if test -d Doc ; then \
( cd Doc ; $(MAKE) TLDEPS= clean ) ; fi
for dir in */Doc; do \
( if test -f $$dir/Makefile ; then \
( cd $$dir; $(MAKE) TLDEPS= clean ) ; fi ) ; done
depend: libiotk
@echo 'Checking dependencies...'
- ( if test -x install/makedeps.sh ; then install/makedeps.sh ; fi)
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