mirror of https://gitlab.com/QEF/q-e.git
295 lines
11 KiB
Makefile
295 lines
11 KiB
Makefile
include make.sys
|
|
|
|
default :
|
|
@echo 'to install, type at the shell prompt:'
|
|
@echo ' ./configure'
|
|
@echo ' make target'
|
|
@echo 'where target is one of the following:'
|
|
@echo ' pw basic code for scf, structure optimization, MD'
|
|
@echo ' cp CP code: CP MD with ultrasoft pseudopotentials'
|
|
@echo ' ph phonon code'
|
|
@echo ' neb neb code'
|
|
@echo ' tddfpt time dependent dft code'
|
|
@echo ' pp postprocessing programs'
|
|
@echo ' gamma Gamma-only version of phonon code'
|
|
@echo ' pwcond ballistic conductance'
|
|
@echo ' d3 third-order derivatives'
|
|
@echo ' vdw vdW calculation'
|
|
@echo ' gipaw magnetic response (NMR, EPR, ...)'
|
|
@echo ' w90 Maximally localised Wannier Functions'
|
|
@echo ' want Quantum Transport with Wannier functions'
|
|
@echo ' gww GW with Wannier Functions'
|
|
@echo ' yambo electronic excitations with plane waves'
|
|
@echo ' tools misc tools for data analysis'
|
|
@echo ' ld1 utilities for pseudopotential generation'
|
|
@echo ' upf utilities for pseudopotential conversion'
|
|
@echo ' xspectra X-ray core-hole spectroscopy calculations '
|
|
@echo ' pwall same as "make pw ph pp gamma pwcond d3 tools"'
|
|
@echo ' all same as "make pwall cp ld1 upf tddfpt"'
|
|
@echo ' clean remove executables and objects'
|
|
@echo ' veryclean revert distribution to the original status'
|
|
@echo ' tar create a tarball of the source tree'
|
|
@echo ' tar-gui create a tarball of the GUI sources'
|
|
@echo ' doc build documentation'
|
|
@echo ' log create ChangeLog and ChangeLog.html files'
|
|
@echo ' links create links to all executables in bin/'
|
|
|
|
###########################################################
|
|
# Main targets
|
|
###########################################################
|
|
pw : bindir mods liblapack libblas libs libiotk eelib
|
|
if test -d PW ; then \
|
|
( cd PW ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
cp : bindir mods liblapack libblas libs libiotk
|
|
if test -d CPV ; then \
|
|
( cd CPV ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= cp ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= cp ; fi ) ; fi
|
|
|
|
ph : bindir mods libs pw
|
|
if test -d PH ; then \
|
|
( cd PH ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
neb : bindir mods liblapack libblas libs libiotk pw eelib
|
|
if test -d NEB ; then \
|
|
( cd NEB ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
tddfpt : bindir mods libs pw ph
|
|
if test -d TDDFPT ; then \
|
|
( cd TDDFPT ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
pp : bindir mods libs pw
|
|
if test -d PP ; then \
|
|
( cd PP ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
gamma : bindir mods libs pw
|
|
if test -d Gamma ; then \
|
|
( cd Gamma ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
pwcond : bindir mods libs pw pp
|
|
if test -d PWCOND ; then \
|
|
( cd PWCOND ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
d3 : bindir mods libs pw ph
|
|
if test -d D3 ; then \
|
|
( cd D3 ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
vdw : bindir mods libs pw ph pp
|
|
if test -d VdW ; then \
|
|
( cd VdW ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
acfdt : bindir mods libs pw ph
|
|
if test -d ACFDT ; then \
|
|
( cd ACFDT ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
gipaw : bindir mods libs pw
|
|
if test -d GIPAW ; then \
|
|
( cd GIPAW ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
gww : bindir pw ph
|
|
if test -d GWW ; then \
|
|
( cd GWW ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
tools : bindir mods libs pw
|
|
if test -d pwtools ; then \
|
|
( cd pwtools ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
ld1 : bindir mods libs
|
|
if test -d atomic ; then \
|
|
( cd atomic ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
upf : mods libs
|
|
if test -d upftools ; then \
|
|
( cd upftools ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
pw_export : libiotk bindir mods libs pw
|
|
if test -d PP ; then \
|
|
( cd PP ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= pw_export.x ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= pw_export.x ; fi ) ; fi
|
|
|
|
xspectra : bindir mods libs pw pp gipaw
|
|
if test -d XSpectra ; then \
|
|
( cd XSpectra ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
pwall : pw neb ph pp gamma pwcond d3 vdw tools acfdt
|
|
all : pwall cp ld1 upf gww tddfpt
|
|
|
|
###########################################################
|
|
# Auxiliary targets used by main targets:
|
|
# compile modules, libraries, directory for binaries, etc
|
|
###########################################################
|
|
mods : libiotk
|
|
( cd Modules ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi )
|
|
libs : mods mglib
|
|
( cd clib ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi )
|
|
( cd flib ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= $(FLIB_TARGETS) ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= $(FLIB_TARGETS) ; fi )
|
|
|
|
eelib : mods
|
|
( cd EE ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi )
|
|
bindir :
|
|
test -d bin || mkdir bin
|
|
|
|
#############################################################
|
|
# Targets for external libraries
|
|
############################################################
|
|
libblas:
|
|
if test -e extlibs/archive/blas-1.tar.gz ; then \
|
|
( cd extlibs ; $(MAKE) $(MFLAGS) $@) ; fi
|
|
|
|
liblapack:
|
|
if test -e extlibs/archive/lapack-3.2.tar.gz ; then \
|
|
( cd extlibs ; $(MAKE) $(MFLAGS) $@) ; fi
|
|
|
|
mglib:
|
|
if test -e extlibs/archive/multigrid.tar ; then \
|
|
( cd extlibs ; $(MAKE) $(MFLAGS) $@) ; fi
|
|
|
|
libiotk:
|
|
if test -e extlibs/archive/iotk-1.1.beta.tar.gz ; then \
|
|
( cd extlibs ; $(MAKE) $(MFLAGS) $@) ; fi
|
|
|
|
#########################################################
|
|
# plugins
|
|
#########################################################
|
|
|
|
w90: bindir libblas liblapack
|
|
cd plugins ; $(MAKE) $(MFLAGS) w90
|
|
|
|
want:
|
|
if test -e plugins/archive/want-2.3.0.tar.gz ; then \
|
|
( cd plugins ; $(MAKE) $(MFLAGS) $@) ; fi
|
|
|
|
yambo:
|
|
if test -e plugins/archive/yambo-3.2.1-r.448.tar.gz ; then \
|
|
( cd plugins ; $(MAKE) $(MFLAGS) $@) ; fi
|
|
|
|
#########################################################
|
|
# Links and copies. "make links" is likely obsolete.
|
|
# "make inst INSTALLDIR=/some/place" will copy 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 ../GWW/*.x ; do \
|
|
file=`basename $$exe`; if test "$(INSTALLDIR)" != ""; then \
|
|
cp $(PWD)/$$exe $(INSTALLDIR)/qe_$$file ; fi ; \
|
|
done )
|
|
|
|
links : bindir
|
|
( cd bin/ ; \
|
|
rm -f *.x ; \
|
|
for exe in ../*/*.x ; do \
|
|
if test ! -L $$exe ; then ln -fs $$exe . ; fi \
|
|
done \
|
|
)
|
|
|
|
|
|
#########################################################
|
|
# Other targets: clean up
|
|
#########################################################
|
|
|
|
# remove object files and executables
|
|
clean :
|
|
touch make.sys
|
|
for dir in \
|
|
CPV D3 Gamma Modules PH PP PW PWCOND VdW ACFDT EE \
|
|
atomic clib flib pwtools upftools iotk GIPAW XSpectra \
|
|
dev-tools GWW extlibs plugins TDDFPT \
|
|
; do \
|
|
if test -d $$dir ; then \
|
|
( cd $$dir ; \
|
|
if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= clean ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= clean ; fi ) \
|
|
fi \
|
|
done
|
|
- /bin/rm -rf bin/*.x tmp
|
|
- cd tests; /bin/rm -rf CRASH *.out *.out2
|
|
|
|
# remove configuration files too
|
|
distclean veryclean : clean
|
|
- test -d plugins && ( cd plugins ; $(MAKE) veryclean)
|
|
- test -d extlibs && ( cd extlibs ; $(MAKE) veryclean)
|
|
- rm -rf make.sys
|
|
- cd install ; rm -f config.log configure.msg config.status autom4te.cache \
|
|
CPV/version.h ChangeLog* intel.pcl */intel.pcl
|
|
- rm -f espresso.tar.gz
|
|
- cd examples ; ./make_clean
|
|
- cd atomic_doc ; ./make_clean
|
|
- for dir in Doc doc-def; do \
|
|
test -d $$dir && ( cd $$dir ; $(MAKE) $(MFLAGS) TLDEPS= clean ) \
|
|
done
|
|
- test -d GUI && ( cd GUI ; $(MAKE) $(MFLAGS) TLDEPS= veryclean )
|
|
|
|
tar :
|
|
@if test -f espresso.tar.gz ; then /bin/rm espresso.tar.gz ; fi
|
|
# do not include unneeded stuff
|
|
find ./ -type f | grep -v -e /CVS/ -e /results/ -e'/\.' -e'\.o$$' \
|
|
-e'\.mod$$' -e'\.a$$' -e'\.d$$' -e'\.i$$' -e'\.F90$$' -e'\.x$$' \
|
|
-e'~$$' -e'\./GUI' | xargs tar rvf espresso.tar
|
|
gzip espresso.tar
|
|
|
|
#########################################################
|
|
# Tools for the developers
|
|
#########################################################
|
|
# TAR-GUI works only if we have CVS-sources !!!
|
|
tar-gui :
|
|
@if test -d GUI/PWgui ; then \
|
|
cd GUI/PWgui ; \
|
|
if test "$(MAKE)" = "" ; then \
|
|
make $(MFLAGS) TLDEPS= clean cvsinit pwgui-source; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= clean cvsinit pwgui-source; fi; \
|
|
mv PWgui-*.tgz ../.. ; \
|
|
else \
|
|
echo ; \
|
|
echo " Sorry, tar-gui works only for CVS-sources !!!" ; \
|
|
echo ; \
|
|
fi
|
|
|
|
# NOTICE about "make doc": in order to build the .html and .txt
|
|
# documentation in Doc, "tcl", "tcllib", "xsltproc" are needed;
|
|
# in order to build the .pdf files in Doc, "pdflatex" is needed;
|
|
# in order to build html files for user guide and developer manual,
|
|
# "latex2html" and "convert" (from Image-Magick) are needed.
|
|
doc :
|
|
if test -d Doc ; then \
|
|
( cd Doc ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
if test -d doc-def ; then \
|
|
( cd doc-def ; if test "$(MAKE)" = "" ; then make $(MFLAGS) TLDEPS= all ; \
|
|
else $(MAKE) $(MFLAGS) TLDEPS= all ; fi ) ; fi
|
|
|
|
|
|
# produce a log file of all changes - will work only if you have read
|
|
# access to the cvs server. For usage by developers
|
|
log :
|
|
-perl ./cvs2cl.pl
|
|
-perl ./cvs2cl.pl --xml --header /dev/null --stdout \
|
|
| perl ./cl2html.pl --entries 0 > ChangeLog.html
|
|
|
|
depend:
|
|
@echo 'Checking dependencies...'
|
|
- ( if test -x install/makedeps.sh ; then install/makedeps.sh ; fi)
|
|
|