1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592
|
#===============================
# espresso
#===============================
#
# Makefile for plugins
#
include ../make.sys
include plugins_list
#
# MAIN target
#
EXTLIBS=liblapack libblas libiotk
##########################################################
# LD1
###########################################################
ld1: uncompress-ld1
if test -d ../atomic; then \
cd ../atomic; $(MAKE) all || exit 1; cd ../bin; ln -fs ../atomic/src/ld1.x . ; fi
touch make-ld1
uncompress-ld1: touch-dummy
@(if test ! -s ../archive/$(LD1).tar.gz && test ! -d ../atomic ; then \
wget -O ../archive/$(LD1).tar.gz $(LD1_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(LD1).tar.gz $(LD1_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download ld1. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(LD1).tar.gz from $(LD1_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../atomic; then \
(gzip -dc ../archive/$(LD1).tar.gz | (cd ../ ; tar -xvf -)) ; fi
touch uncompress-ld1
##########################################################
# XSpectra
###########################################################
xspectra: uncompress-xspectra
if test -d ../XSpectra; then \
cd ../XSpectra; $(MAKE) all || exit 1; cd ../bin; ln -fs ../XSpectra/src/xspectra.x . ; fi
touch make-xspectra
uncompress-xspectra: touch-dummy
@(if test ! -s ../archive/$(XSPECTRA).tar.gz && test ! -d ../XSpectra ; then \
wget -O ../archive/$(XSPECTRA).tar.gz $(XSPECTRA_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(XSPECTRA).tar.gz $(XSPECTRA_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download xspectra. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(XSPECTRA).tar.gz from $(XSPECTRA_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../XSpectra; then \
(gzip -dc ../archive/$(XSPECTRA).tar.gz | (cd ../ ; tar -xvf -)) ; fi
touch uncompress-xspectra
##########################################################
# PWCOND
###########################################################
pwcond: uncompress-pwcond
if test -d ../PWCOND; then \
cd ../PWCOND; $(MAKE) all || exit 1; cd ../bin; ln -fs ../PWCOND/src/pwcond.x . ; fi
touch make-pwcond
uncompress-pwcond: touch-dummy
@(if test ! -s ../archive/$(PWCOND).tar.gz && test ! -d ../PWCOND ; then \
wget -O ../archive/$(PWCOND).tar.gz $(PWCOND_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(PWCOND).tar.gz $(PWCOND_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download pwcond. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(PWCOND).tar.gz from $(PWCOND_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../PWCOND; then \
(gzip -dc ../archive/$(PWCOND).tar.gz | (cd ../ ; tar -xvf -)) ; \
(cd ../ ; ln -s $(PWCOND) PWCOND) ; fi
touch uncompress-pwcond
##########################################################
# NEB
###########################################################
neb: uncompress-neb
if test -d ../NEB; then \
cd ../NEB; $(MAKE) all || exit 1; cd ../bin; ln -fs ../NEB/src/neb.x . ; fi
touch make-neb
uncompress-neb: touch-dummy
@(if test ! -s ../archive/$(NEB).tar.gz && test ! -d ../NEB ; then \
wget -O ../archive/$(NEB).tar.gz $(NEB_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(NEB).tar.gz $(NEB_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download neb. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(NEB).tar.gz from $(NEB_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../NEB; then \
(gzip -dc ../archive/$(NEB).tar.gz | (cd ../ ; tar -xvf -)) ; fi
touch uncompress-neb
##########################################################
# TDDFPT
###########################################################
tddfpt: uncompress-tddfpt
if test -d ../TDDFPT; then \
cd ../TDDFPT; $(MAKE) all || exit 1; cd ../bin; ln -fs ../TDDFPT/src/turbo_lanczos.x . ; \
ln -fs ../TDDFPT/tools/turbo_spectrum.x . ; fi
touch make-tddfpt
uncompress-tddfpt: touch-dummy
@(if test ! -s ../archive/$(TDDFPT).tar.gz && test ! -d ../TDDFPT ; then \
wget -O ../archive/$(TDDFPT).tar.gz $(TDDFPT_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(TDDFPT).tar.gz $(TDDFPT_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download tddfpt. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(TDDFPT).tar.gz from $(TDDFPT_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../TDDFPT; then \
(gzip -dc ../archive/$(TDDFPT).tar.gz | (cd ../ ; tar -xvf -)) ; fi
touch uncompress-tddfpt
##########################################################
# PHonon
###########################################################
phonon: uncompress-phonon
if test -d ../PHonon; then \
cd ../PHonon; $(MAKE) all || exit 1; cd ../bin; \
ln -fs ../PHonon/PH/ph.x . ; \
ln -fs ../PHonon/PH/dynmat.x . ; \
ln -fs ../PHonon/PH/matdyn.x . ; \
ln -fs ../PHonon/PH/q2r.x . ; \
ln -fs ../PHonon/PH/q2qstar.x . ; \
ln -fs ../PHonon/PH/lambda.x . ; \
ln -fs ../PHonon/PH/fqha.x . ; \
ln -fs ../PHonon/Gamma/phcg.x . ; \
ln -fs ../PHonon/D3/d3.x . ; \
fi
touch make-phonon
uncompress-phonon: touch-dummy
@(if test ! -s ../archive/$(PHONON).tar.gz && test ! -d ../PHonon ; then \
wget -O ../archive/$(PHONON).tar.gz $(PHONON_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(PHONON).tar.gz $(PHONON_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download phonon. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(PHONON).tar.gz from $(PHONON_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../PHonon; then \
(gzip -dc ../archive/$(PHONON).tar.gz | (cd ../ ; tar -xvf -)) ; fi
touch uncompress-phonon
##########################################################
# GIPAW
###########################################################
#gipaw: uncompress-gipaw configure-gipaw
gipaw: download-gipaw configure-gipaw
if test -d ../GIPAW; then \
cd ../GIPAW; $(MAKE) all || exit 1; cd ../bin; ln -fs ../GIPAW/bin/gipaw.x . ; fi
touch make-gipaw
download-gipaw:
@echo "GIPAW 5 is not ready for distribution. Donwloading the development version."
@echo "This version is not bug free. Please, check if your results make sense."
svn checkout http://qeforge.qe-forge.org/svn/qe-gipaw/trunk ../GIPAW
uncompress-gipaw: touch-dummy
@(if test ! -s ../archive/$(GIPAW).tar.gz && test ! -d ../GIPAW ; then \
wget -O ../archive/$(GIPAW).tar.gz $(GIPAW_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(GIPAW).tar.gz $(GIPAW_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download qe-gipaw. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(GIPAW).tar.gz from $(GIPAW_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../GIPAW; then \
(gzip -dc ../archive/$(GIPAW).tar.gz | (cd ../ ; tar -xvf -)) ; \
(cd ../ ; ln -s $(GIPAW) GIPAW) ; fi
touch uncompress-gipaw
configure-gipaw: touch-dummy
cd ../GIPAW ; \
./configure --with-qe-source=${TOPDIR}
touch ./configure-gipaw
##########################################################
# EPW
###########################################################
epw:
if test -d ../EPW; then \
cd ../EPW; $(MAKE) all || exit 1; cd ../bin; ln -fs ../EPW/bin/epw.x . ; fi
-(cd ../bin; ln -fs ../EPW/src/epw.x .)
touch make-epw
###########################################################
# wannier90
###########################################################
w90: uncompress-w90 configure-w90
if test -d ../W90; then \
cd ../W90; $(MAKE) all || exit 1; cd ../bin; ln -fs ../W90/wannier90.x . ; fi
-(cd ../bin; ln -fs ../W90/wannier90.x .)
touch make-w90
uncompress-w90: touch-dummy
@(if test ! -s ../archive/$(W90).tar.gz && test ! -d ../W90 ; then \
wget -O ../archive/$(W90).tar.gz $(W90_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(W90).tar.gz $(W90_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download wannier90. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(W90).tar.gz from $(W90_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../W90; then \
(gzip -dc ../archive/$(W90).tar.gz | (cd ../ ; tar -xvf -)) ; \
(cd ../ ; ln -s $(W90) W90) ; fi
touch uncompress-w90
configure-w90: touch-dummy
cd ../W90 ; \
if (test -e ../install/make_wannier90.sys) || (test -d ../W90); then \
(cp ../install/make_wannier90.sys ../W90/make.sys); fi
touch ./configure-w90
###########################################################
# WANT
###########################################################
want: extlibs uncompress-want configure-want
if test -d ../WANT; then \
cd ../WANT; $(MAKE) all || exit 1; fi
# - ( cd ../bin ; ln -sf ../WANT/bin/* . )
touch ./make-want
uncompress-want: touch-dummy
@(if test ! -s ../archive/$(WANT)-base.tar.gz && test ! -d ../WANT ; then \
wget -O ../archive/$(WANT)-base.tar.gz $(WANT_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(WANT)-base.tar.gz $(WANT_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download want. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(WANT)-base.tar.gz from $(WANT_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../WANT; then \
(gzip -dc ../archive/$(WANT)-base.tar.gz | (cd ../ ; tar -xvf -)) ; \
(cd ../ ; ln -s $(WANT) WANT) ; fi
touch uncompress-want
configure-want: touch-dummy
cd ../WANT ; \
./conf/configure \
--with-external-iotk \
IOTK_LIBS="-L../../S3DE/iotk/src -liotk" \
IOTK_INCLUDE="$(MOD_FLAG)../../S3DE/iotk/src" \
CC="$(CC)" \
F90="$(F90)" \
MPIF90="$(MPIF90)" \
F90FLAGS="$(F90FLAGS) $($PRE_FDFLAGS) $(FDFLAGS) $(IFLAGS) $(MODFLAGS)" \
F77="$(F77)" \
FFLAGS="$(FFLAGS)" \
FFLAGS_NOOPT="$(FFLAGS_NOOPT)" \
LD="$(LD)" \
LDFLAGS="$(LDFLAGS)" \
AR="$(AR)" \
ARFLAGS="$(ARFLAGS)" \
RANLIB="$(RANLIB)" \
DFLAGS="$(DFLAGS)" \
FDFLAGS="$(DFLAGS)" \
LAPACK_LIBS="$(LAPACK_LIBS)" \
BLAS_LIBS="$(BLAS_LIBS)" \
FFT_LIBS="$(FFT_LIBS)"
touch ./configure-want
###################################################
# YAMBO
###################################################
yambo: extlibs uncompress-yambo configure-yambo
if test -d ../YAMBO; then \
cd ../YAMBO; $(MAKE) all || exit 1; fi
touch ./make-yambo
uncompress-yambo: touch-dummy
@(if test ! -s ../archive/$(YAMBO).tar.gz && test ! -d ../YAMBO ; then \
wget -O ../archive/$(YAMBO).tar.gz $(YAMBO_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(YAMBO).tar.gz $(YAMBO_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download yambo. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(YAMBO).tar.gz from $(YAMBO_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../YAMBO; then \
(gzip -dc ../archive/$(YAMBO).tar.gz | (cd ../ ; tar -xvf -)) ; \
(cd ../ ; ln -s $(YAMBO) YAMBO) ; fi
touch uncompress-yambo
configure-yambo: touch-dummy
cd ../YAMBO ; \
./configure --with-blas="$(BLAS_LIBS)" \
--with-lapack="$(LAPACK_LIBS)" \
--with-iotk="$(TOPDIR)/iotk" \
PFC="$(MPIF90)" \
FC="$(LD)" \
FCFLAGS="$(F90FLAGS) $(FDFLAGS) $(IFLAGS) $(MODFLAGS) $(FFLAGS_NOMAIN)"
F77="$(F77)" \
FFLAGS="$(FFLAGS)"
AR="$(AR)" \
ARFLAGS="$(ARFLAGS)"
touch ./configure-yambo
touch-dummy:
$(dummy-variable)
###########################################################
# plumed
###########################################################
plumed: test-plumed uncompress-plumed patch-plumed
if test -d ../PLUMED; then \
cd ../; $(MAKE) pw; $(MAKE) cp; fi
touch make-plumed
test-plumed: touch-dummy
@(if test ! -s ../archive/$(PLUMED).tar.gz && test ! -d ../PLUMED; then \
echo "The release contains no PLUMED package. Trying to download it from qe-forge."; fi)
touch ./test-plumed
uncompress-plumed: touch-dummy
@(if test ! -s ../archive/$(PLUMED).tar.gz && test ! -d ../PLUMED ; then \
wget -O ../archive/$(PLUMED).tar.gz $(PLUMED_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(PLUMED).tar.gz $(PLUMED_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download plumed. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(PLUMED).tar.gz from $(PLUMED_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../PLUMED; then \
(gzip -dc ../archive/$(PLUMED).tar.gz | (cd ../ ; tar -xvf -)) ; \
(cd ../ ; ln -s $(PLUMED) PLUMED) ; fi
touch uncompress-plumed
patch-plumed: touch-dummy
if test -d ../PLUMED; then \
(cd ../PLUMED ; export plumedir="`pwd`" ; \
cp patches/plumedpatch_qespresso_5.1.sh ../ ; \
cd ../ ; ./plumedpatch_qespresso_5.1.sh -patch) ; fi
touch ./patch-plumed
##################################
# SaX
##################################
sax: extlibs uncompress-sax configure-sax
if test -d ../SaX; then \
cd ../SaX; $(MAKE) sax_all; fi
# - ( cd ../bin ; ln -sf ../SaX/sax/bin/* . )
touch ./make-sax
uncompress-sax: touch-dummy
@(if test ! -s ../archive/$(SAX).tar.gz && test ! -d ../SaX ; then \
wget -O ../archive/$(SAX).tar.gz $(SAX_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(SAX).tar.gz $(SAX_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download SaX. Test whether curl or wget is installed and working." ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(SAX).tar.gz from $(SAX_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../SaX; then \
(gzip -dc ../archive/$(SAX).tar.gz | (cd ../ ; tar -xvf -)) ; \
(cd ../ ; ln -s $(SAX) SaX) ; fi
touch uncompress-sax
configure-sax: touch-dummy
cd ../SaX ; \
./configure \
--with-external-iotk \
IOTK_LIBS="-L../../S3DE/iotk/src -liotk" \
IOTK_INCLUDE="$(MOD_FLAG)../../S3DE/iotk/src" \
CC="$(CC)" \
F90="$(F90)" \
MPIF90="$(MPIF90)" \
F90FLAGS="$(F90FLAGS) $($PRE_FDFLAGS) $(FDFLAGS) $(IFLAGS) $(MODFLAGS)" \
F77="$(F77)" \
FFLAGS="$(FFLAGS)" \
FFLAGS_NOOPT="$(FFLAGS_NOOPT)" \
LD="$(LD)" \
LDFLAGS="$(LDFLAGS)" \
AR="$(AR)" \
ARFLAGS="$(ARFLAGS)" \
RANLIB="$(RANLIB)" \
DFLAGS="$(DFLAGS)" \
FDFLAGS="$(DFLAGS)" \
LAPACK_LIBS="$(LAPACK_LIBS)" \
BLAS_LIBS="$(BLAS_LIBS)" \
FFT_LIBS="$(FFT_LIBS)"
touch ./configure-sax
##################################
# extlibs
###################################
extlibs:
test -n "$(EXTLIBS)" && ( cd .. ; $(MAKE) $(EXTLIBS) || exit 1) || :
##########################################################
# GUI
###########################################################
gui: uncompress-gui
touch make-gui
uncompress-gui: touch-dummy
@(if test ! -s ../archive/$(GUI).tgz && test ! -d ../GUI && test ! -d ../$(GUI); then \
wget -O ../archive/$(GUI).tgz $(GUI_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(GUI).tgz $(GUI_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download pwGUI. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(GUI).tar.gz from $(GUI_URL)." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../GUI && test ! -d ../$(GUI); then \
(gzip -dc ../archive/$(GUI).tgz | (cd ../ ; tar -xvf -)) ; fi
touch uncompress-gui
##########################################################
# GPU
###########################################################
gpu: uncompress-gpu
touch make-gpu
uncompress-gpu: touch-dummy
@(if test ! -s ../archive/$(GPU).tar.gz && test ! -d ../GPU && test ! -d ../$(GPU); then \
wget -O ../archive/$(GPU).tar.gz $(GPU_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(GPU).tar.gz $(GPU_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download QE-GPU. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(GPU).tar.gz from $(GPU_URL)." ; \
exit 1 ; fi ; fi ; fi)
@ echo ""
@ echo " *****************************************************************************"
@ echo " * QE-GPU has been downloaded under ./archive Please follow the instructions *"
@ echo " * reported here: http://qe-forge.org/gf/project/q-e-gpu/ *"
@ echo " *****************************************************************************"
@ echo ""
touch uncompress-gpu
###################################
# cleaning
###################################
# each lib independently
ld1_clean:
if test -d ../atomic; then (cd ../atomic; \
$(MAKE) clean); fi
rm -f ../bin/ld1.x
rm -rf ./make-ld1
ld1_veryclean: ld1_clean
# dir is not deleted for compatibility with the repository
xspectra_clean:
if test -d ../XSpectra; then (cd ../XSpectra; \
$(MAKE) clean); fi
rm -f ../bin/xspectra.x
rm -rf ./make-xspectra
xspectra_veryclean: xspectra_clean
# dir is not deleted for compatibility with the repository
pwcond_clean:
if test -d ../PWCOND; then (cd ../PWCOND; \
$(MAKE) clean); fi
rm -f ../bin/pwcond.x
rm -rf ./make-pwcond
pwcond_veryclean: pwcond_clean
# dir is not deleted for compatibility with the repository
neb_clean:
if test -d ../NEB; then (cd ../NEB; \
$(MAKE) clean); fi
rm -f ../bin/neb.x
rm -rf ./make-neb
neb_veryclean: neb_clean
# dir is not deleted for compatibility with the repository
tddfpt_clean:
if test -d ../TDDFPT; then (cd ../TDDFPT; \
$(MAKE) clean); fi
rm -f ../bin/turbo_lanczos.x
rm -f ../bin/turbo_spectrum.x
rm -rf ./make-tddfpt
tddfpt_veryclean: tddfpt_clean
# dir is not deleted for compatibility with the repository
phonon_clean:
if test -d ../PHonon; then (cd ../PHonon; \
$(MAKE) clean); fi
rm -rf ../bin/ph.x
rm -rf ../bin/dynmat.x
rm -rf ../bin/matdyn.x
rm -rf ../bin/q2r.x
rm -rf ../bin/q2qstar.x
rm -rf ../bin/lambda.x
rm -rf ../bin/fqha.x
rm -rf ../bin/phcg.x
rm -rf ../bin/d3.x
rm -rf ./make-phonon
phonon_veryclean: phonon_clean
# dir is not deleted for compatibility with the repository
# exe links to main bin dir are deleted by PHonon Makefile
gipaw_clean:
if test -d ../GIPAW; then (cd ../GIPAW; $(MAKE) clean); fi
rm -f ../bin/gipaw.x
rm -rf ./make-gipaw
gipaw_veryclean: gipaw_clean
if test -d ../GIPAW; then (cd ../GIPAW; \
rm -f config.log config.status ); fi
rm -rf ./configure-gipaw
epw_clean:
if test -d ../EPW; then (cd ../EPW; \
$(MAKE) clean); fi
rm -f ../bin/epw.x
rm -rf ./make-epw
epw_veryclean: epw_clean
w90_clean:
if test -d ../W90; then (cd ../W90; \
$(MAKE) veryclean); fi
rm -f ../bin/wannier90.x
rm -rf ./make-w90 ./configure-w90
w90_veryclean: w90_clean
if test -d ../W90; then (rm -R -f ../W90); fi
if test -d ../$(W90); then (rm -R -f ../$(W90)); fi
rm -f ../bin/wannier90.x
rm -rf ./uncompress-w90
want_clean:
if test -d ../WANT; then (cd ../WANT; \
$(MAKE) clean); fi
- rm -rf ./make-want ./configure-want
want_veryclean: want_clean
if test -d ../WANT; then (rm -R -f ../WANT); fi
if test -d ../$(WANT); then (rm -R -f ../$(WANT)); fi
- rm -rf ./uncompress-want
yambo_clean:
if test -d ../YAMBO; then (cd ../YAMBO; \
$(MAKE) clean); fi
- rm -rf ./make-yambo ./configure-yambo
yambo_veryclean: yambo_clean
if test -d ../YAMBO; then (rm -R -f ../YAMBO); fi
if test -d ../$(YAMBO); then (rm -R -f ../$(YAMBO)); fi
- rm -rf ./uncompress-yambo
plumed_clean:
if test -d ../PLUMED; then (cd ../PLUMED; \
export plumedir="`pwd`" ; \
cd ../ ; ./plumedpatch_qespresso_5.1.sh -revert); fi
cd ../PW ; $(MAKE) clean; cd ../CPV ; $(MAKE) clean
rm -rf ./make-plumed ./patch-plumed
plumed_veryclean: plumed_clean
if test -d ../PLUMED; then (rm -R -f ../PLUMED); fi
if test -d ../$(PLUMED); then (rm -R -f ../$(PLUMED)); fi
rm -rf ./uncompress-plumed ../plumedpatch_qespresso_5.1.sh
sax_clean:
if test -d ../SaX; then (cd ../SaX; \
$(MAKE) clean); fi
- rm -rf ./make-sax ./configure-sax
sax_veryclean: sax_clean
if test -d ../SaX; then (rm -R -f ../SaX); fi
if test -d ../$(SAX); then (rm -R -f ../$(SAX)); fi
- rm -rf ./uncompress-sax
gui_clean:
rm -rf ./make-gui
gui_veryclean: gui_clean
# dir is not deleted for compatibility with the repository
gpu_clean:
rm -f ./make-gpu
gpu_veryclean: gpu_clean
# dir is not deleted for compatibility with the repository
##########################################################
# general cleaning
##########################################################
clean: w90_clean want_clean yambo_clean plumed_clean epw_clean \
gui_clean phonon_clean tddfpt_clean xspectra_clean neb_clean pwcond_clean \
ld1_clean gipaw_clean gpu_clean
veryclean: w90_veryclean want_veryclean yambo_veryclean plumed_veryclean epw_veryclean \
gui_veryclean phonon_veryclean tddfpt_veryclean xspectra_veryclean neb_veryclean \
pwcond_veryclean ld1_veryclean gipaw_veryclean gpu_veryclean
|