2003-11-20 01:10:26 +08:00
|
|
|
default:
|
|
|
|
@echo 'to install, type at the shell prompt:'
|
|
|
|
@echo ' ./configure.new'
|
|
|
|
@echo ' make target'
|
|
|
|
@echo 'where target is one of the following:'
|
|
|
|
@echo ' pw basic code for scf, structure optimization, MD'
|
|
|
|
@echo ' fpmd FPMD code for Car-Parrinello MD'
|
|
|
|
@echo ' cp CP code: CP MD with ultrasoft pseudopotentials'
|
|
|
|
@echo ' ph phonon code'
|
|
|
|
@echo ' pp postprocessing programs'
|
|
|
|
@echo ' gamma Gamma-only version of pw and ph'
|
|
|
|
@echo ' nc non collinear magnetic version of pw code'
|
2003-11-20 21:28:10 +08:00
|
|
|
@echo ' pwneb version of pw with NEB'
|
2003-11-20 01:10:26 +08:00
|
|
|
@echo ' pwcond ballistic conductance'
|
|
|
|
@echo ' d3 third-order derivatives'
|
|
|
|
@echo ' tools misc tools for data analysis'
|
|
|
|
@echo ' upf utilities for pseudopotential conversion'
|
|
|
|
@echo ' all same as "make pw ph pp gamma pwcond d3 tools"'
|
|
|
|
@echo ' links creates links to executables in bin/'
|
|
|
|
@echo ' clean remove executables and objects'
|
|
|
|
@echo ' veryclean revert distribution to the original status'
|
|
|
|
@echo ' tar create a tarball of the source tree'
|
2003-01-20 05:58:50 +08:00
|
|
|
|
2003-11-20 01:10:26 +08:00
|
|
|
pw: modules libs
|
|
|
|
( cd PW; make all )
|
|
|
|
fpmd: modules libs
|
|
|
|
( cd FPMD; make all )
|
|
|
|
cp: modules libs
|
|
|
|
( cd CPV; make all )
|
2003-01-20 05:58:50 +08:00
|
|
|
|
2003-11-20 01:10:26 +08:00
|
|
|
ph: pw
|
|
|
|
( cd PH; make all )
|
|
|
|
pp: pw
|
|
|
|
( cd PP; make all )
|
2003-02-14 16:15:41 +08:00
|
|
|
gamma: pw
|
2003-01-20 05:58:50 +08:00
|
|
|
( cd Gamma; make all )
|
2003-11-20 01:10:26 +08:00
|
|
|
nc: pw
|
|
|
|
( cd PWNC; make all )
|
2003-11-18 18:04:48 +08:00
|
|
|
pwneb: pw
|
|
|
|
( cd NEB; make all )
|
|
|
|
|
2003-11-20 01:10:26 +08:00
|
|
|
pwcond: pw pp
|
|
|
|
( cd PWCOND; make all )
|
|
|
|
d3: pw ph
|
2003-01-20 05:58:50 +08:00
|
|
|
( cd D3; make all )
|
|
|
|
|
2003-11-20 01:10:26 +08:00
|
|
|
tools: libs
|
|
|
|
( cd pwtools ; make all )
|
|
|
|
upf: libs
|
|
|
|
( cd upftools ; make all )
|
2003-09-24 17:59:22 +08:00
|
|
|
|
2003-11-20 01:10:26 +08:00
|
|
|
all: pw ph pp gamma pwcond d3 tools
|
2003-11-21 18:44:34 +08:00
|
|
|
all_: all fpmd cp nc pwneb upf
|
2003-01-20 05:58:50 +08:00
|
|
|
|
|
|
|
modules:
|
|
|
|
( cd Modules; make all )
|
|
|
|
libs: modules
|
2003-11-20 01:10:26 +08:00
|
|
|
( cd clib; make all )
|
|
|
|
( cd flib; make all )
|
2003-01-20 05:58:50 +08:00
|
|
|
|
2003-11-20 01:10:26 +08:00
|
|
|
# create link only if file exists
|
2003-01-20 05:58:50 +08:00
|
|
|
links:
|
2003-07-22 17:12:50 +08:00
|
|
|
test -d bin || mkdir bin
|
2003-11-20 01:10:26 +08:00
|
|
|
( cd bin/ ; \
|
|
|
|
for exe in ../PW/pw.x ../PW/memory.x ../NEB/pwneb.x ../PH/ph.x \
|
2003-11-20 21:28:10 +08:00
|
|
|
../D3/d3.x ../Gamma/pwg.x ../Gamma/phcg.x ../CPV/cp.x \
|
|
|
|
../FPMD/par2.x ../PP/average.x ../PP/bands.x ../PP/chdens.x \
|
|
|
|
../PP/dos.x ../PP/plotrho.x ../PP/pp.x ../PP/projwfc.x \
|
|
|
|
../PP/voronoy.x ../PP/plotband.x ../PWCOND/pwcond.x \
|
|
|
|
../pwtools/band_plot.x ../pwtools/dynmat.x ../pwtools/fqha.x \
|
|
|
|
../pwtools/matdyn.x ../pwtools/q2r.x ../pwtools/dist.x \
|
|
|
|
../pwtools/ev.x ../pwtools/kpoints.x ; do \
|
2003-11-20 01:10:26 +08:00
|
|
|
if test -f $$exe ; then ln -fs $$exe . ; fi \
|
|
|
|
done \
|
|
|
|
)
|
|
|
|
|
|
|
|
# remove object files and executables
|
2003-01-26 02:05:41 +08:00
|
|
|
clean:
|
2003-11-20 01:10:26 +08:00
|
|
|
touch make.rules make.sys # make complains if they aren't there
|
|
|
|
# same with .dependencies below
|
|
|
|
for dir in PW PWNC NEB PH PP D3 PWCOND Gamma pwtools upftools \
|
2003-11-20 21:28:10 +08:00
|
|
|
Modules install clib flib FPMD CPV ; do \
|
2003-11-20 01:10:26 +08:00
|
|
|
if test -d $$dir ; then \
|
|
|
|
( cd $$dir ; touch .dependencies ; make clean_ ) \
|
|
|
|
fi \
|
|
|
|
done
|
|
|
|
|
|
|
|
# remove configuration files too
|
2003-01-20 05:58:50 +08:00
|
|
|
veryclean: clean
|
2003-11-21 19:49:12 +08:00
|
|
|
- /bin/rm -rf make.rules make.sys */.dependencies \
|
|
|
|
config.log config.status */dum1 */dum2 bin/*.x \
|
|
|
|
autom4te.cache pw.tar.gz FPMD/version.h
|
2003-01-20 05:58:50 +08:00
|
|
|
|
|
|
|
tar:
|
2003-11-21 01:36:20 +08:00
|
|
|
tar cvf pw.tar \
|
|
|
|
License README */README INSTALL configure \
|
|
|
|
makedeps.sh moduledep.sh Makefile */Makefile */.dependencies \
|
|
|
|
configure.new configure.ac config.guess config.sub install-sh \
|
|
|
|
make.rules.in make.sys.in \
|
|
|
|
*/*.f90 */*.c */*.f clib/*.h include/*.h*
|
|
|
|
# archive a few entire directories, but without CVS subdirs
|
|
|
|
find install upftools *docs *_examples pseudo -type f | \
|
|
|
|
grep -v /CVS/ | xargs tar rvf pw.tar
|
2003-11-13 19:40:18 +08:00
|
|
|
gzip pw.tar
|
|
|
|
|