Get Gentoo!
gentoo.org sites
gentoo.org Wiki Bugs Forums Packages
Planet Archives Sources
Infra Status

Gentoo Archives: gentoo-commits

From: "Nicolas Bock (nicolasbock)" <nicolasbock@g.o>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] gentoo-x86 commit in sci-physics/lammps: lammps-20150722.ebuild lammps-20150721.ebuild ChangeLog
Date: Fri, 24 Jul 2015 12:22:31
Message-Id: 20150724122222.ACAC5BC@oystercatcher.gentoo.org
1 nicolasbock 15/07/24 12:22:22
2
3 Modified: ChangeLog
4 Added: lammps-20150722.ebuild lammps-20150721.ebuild
5 Log:
6 Version bump.
7
8 (Portage version: 2.2.18/cvs/Linux x86_64, signed Manifest commit with key AC91CA52)
9
10 Revision Changes Path
11 1.107 sci-physics/lammps/ChangeLog
12
13 file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?rev=1.107&view=markup
14 plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?rev=1.107&content-type=text/plain
15 diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?r1=1.106&r2=1.107
16
17 Index: ChangeLog
18 ===================================================================
19 RCS file: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v
20 retrieving revision 1.106
21 retrieving revision 1.107
22 diff -u -r1.106 -r1.107
23 --- ChangeLog 18 Jul 2015 21:59:49 -0000 1.106
24 +++ ChangeLog 24 Jul 2015 12:22:22 -0000 1.107
25 @@ -1,6 +1,13 @@
26 # ChangeLog for sci-physics/lammps
27 # Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
28 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.106 2015/07/18 21:59:49 nicolasbock Exp $
29 +# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.107 2015/07/24 12:22:22 nicolasbock Exp $
30 +
31 +*lammps-20150721 (24 Jul 2015)
32 +*lammps-20150722 (24 Jul 2015)
33 +
34 + 24 Jul 2015; Nicolas Bock <nicolasbock@g.o> +lammps-20150721.ebuild,
35 + +lammps-20150722.ebuild:
36 + Version bump.
37
38 *lammps-20150718 (18 Jul 2015)
39
40
41
42
43 1.1 sci-physics/lammps/lammps-20150722.ebuild
44
45 file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20150722.ebuild?rev=1.1&view=markup
46 plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20150722.ebuild?rev=1.1&content-type=text/plain
47
48 Index: lammps-20150722.ebuild
49 ===================================================================
50 # Copyright 1999-2015 Gentoo Foundation
51 # Distributed under the terms of the GNU General Public License v2
52 # $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20150722.ebuild,v 1.1 2015/07/24 12:22:22 nicolasbock Exp $
53
54 EAPI=5
55
56 PYTHON_COMPAT=( python{2_7,3_3} )
57
58 inherit eutils flag-o-matic fortran-2 multilib python-r1
59
60 convert_month() {
61 case $1 in
62 01) echo Jan
63 ;;
64 02) echo Feb
65 ;;
66 03) echo Mar
67 ;;
68 04) echo Apr
69 ;;
70 05) echo May
71 ;;
72 06) echo Jun
73 ;;
74 07) echo Jul
75 ;;
76 08) echo Aug
77 ;;
78 09) echo Sep
79 ;;
80 10) echo Oct
81 ;;
82 11) echo Nov
83 ;;
84 12) echo Dec
85 ;;
86 *) echo unknown
87 ;;
88 esac
89 }
90
91 MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
92
93 DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
94 HOMEPAGE="http://lammps.sandia.gov/"
95 SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
96
97 LICENSE="GPL-2"
98 SLOT="0"
99 KEYWORDS="~amd64 ~x86"
100 IUSE="doc examples gzip lammps-memalign mpi python static-libs"
101
102 DEPEND="
103 mpi? (
104 virtual/blas
105 virtual/lapack
106 virtual/mpi
107 )
108 gzip? ( app-arch/gzip )
109 sci-libs/voro++
110 python? ( ${PYTHON_DEPS} )
111 "
112 RDEPEND="${DEPEND}"
113
114 REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
115
116 S="${WORKDIR}/${MY_P}"
117
118 lmp_emake() {
119 local LAMMPS_INCLUDEFLAGS
120 LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
121 LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
122
123 # The lammps makefile uses CC to indicate the C++ compiler.
124 emake \
125 ARCHIVE=$(tc-getAR) \
126 CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
127 F90=$(usex mpi "mpif90" "$(tc-getFC)") \
128 LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
129 CCFLAGS="${CXXFLAGS}" \
130 F90FLAGS="${FCFLAGS}" \
131 LINKFLAGS="${LDFLAGS}" \
132 LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
133 MPI_INC=$(usex mpi "" "-I../STUBS") \
134 MPI_PATH=$(usex mpi "" "-L../STUBS") \
135 MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
136 user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
137 "$@"
138 }
139
140 lmp_activate_packages() {
141 # Build packages
142 lmp_emake -C src yes-asphere
143 lmp_emake -C src yes-body
144 lmp_emake -C src yes-class2
145 lmp_emake -C src yes-colloid
146 lmp_emake -C src yes-coreshell
147 lmp_emake -C src yes-dipole
148 lmp_emake -C src yes-fld
149 #lmp_emake -C src yes-gpu
150 lmp_emake -C src yes-granular
151 # Need OpenKIM external dependency.
152 #lmp_emake -C src yes-kim
153 # Need Kokkos external dependency.
154 #lmp_emake -C src yes-kokkos
155 lmp_emake -C src yes-kspace
156 lmp_emake -C src yes-manybody
157 lmp_emake -C src yes-mc
158 lmp_emake -C src yes-meam
159 lmp_emake -C src yes-misc
160 lmp_emake -C src yes-molecule
161 #lmp_emake -C src yes-mpiio
162 lmp_emake -C src yes-opt
163 lmp_emake -C src yes-peri
164 lmp_emake -C src yes-poems
165 lmp_emake -C src yes-qeq
166 lmp_emake -C src yes-reax
167 lmp_emake -C src yes-replica
168 lmp_emake -C src yes-rigid
169 lmp_emake -C src yes-shock
170 lmp_emake -C src yes-snap
171 lmp_emake -C src yes-srd
172 lmp_emake -C src yes-voronoi
173 lmp_emake -C src yes-xtc
174
175 if use mpi; then
176 lmp_emake -C src yes-user-atc
177 fi
178 lmp_emake -C src yes-user-eff
179 lmp_emake -C src yes-user-fep
180 use mpi && lmp_emake -C src yes-user-lb
181 lmp_emake -C src yes-user-phonon
182 lmp_emake -C src yes-user-sph
183 }
184
185 lmp_build_packages() {
186 lmp_emake -C lib/meam -j1 -f Makefile.gfortran
187 lmp_emake -C lib/poems -f Makefile.g++
188 lmp_emake -C lib/reax -j1 -f Makefile.gfortran
189 use mpi && lmp_emake -C lib/atc -f Makefile.g++
190 }
191
192 lmp_clean_packages() {
193 lmp_emake -C lib/meam -f Makefile.gfortran clean
194 lmp_emake -C lib/poems -f Makefile.g++ clean
195 lmp_emake -C lib/reax -f Makefile.gfortran clean
196 use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
197 }
198
199 src_prepare() {
200 # Fix inconsistent use of SHFLAGS.
201 sed -i \
202 -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
203 -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
204 lib/voronoi/Makefile.lammps || die
205
206 # Fix missing .so name.
207 sed -i \
208 -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
209 src/MAKE/Makefile.serial || die
210
211 # Fix makefile in tools.
212 sed -i \
213 -e 's:g++:$(CXX) $(CXXFLAGS):' \
214 -e 's:gcc:$(CC) $(CCFLAGS):' \
215 -e 's:ifort:$(FC) $(FCFLAGS):' \
216 tools/Makefile || die
217
218 # Patch python.
219 epatch "${FILESDIR}/lammps-python3.patch"
220 epatch "${FILESDIR}/python-shebang.patch"
221 }
222
223 src_compile() {
224 # Fix atc...
225 append-cxxflags -I../../src
226
227 # Acticate packages.
228 elog "Activating lammps packages..."
229 lmp_activate_packages
230
231 # Compile stubs for serial version.
232 use mpi || lmp_emake -C src mpi-stubs
233
234 elog "Building packages..."
235 lmp_build_packages
236
237 if use static-libs; then
238 # Build static library.
239 elog "Building static library..."
240 lmp_emake -C src mode=lib serial
241 fi
242
243 # Clean out packages (that's not done by the build system with the clean
244 # target), so we can rebuild the packages with -fPIC.
245 elog "Cleaning packages..."
246 lmp_clean_packages
247
248 # The build system does not rebuild the packages with -fPIC, adding flag
249 # manually.
250 append-cxxflags -fPIC
251 append-fflags -fPIC
252
253 # Compile stubs for serial version.
254 use mpi || lmp_emake -C src mpi-stubs
255
256 elog "Building packages..."
257 lmp_build_packages
258
259 # Build shared library.
260 elog "Building shared library..."
261 lmp_emake -C src mode=shlib serial
262
263 # Compile main executable. The shared library is always built, and
264 # mode=shexe is simply a way to re-use the object files built in the
265 # "shlib" step when linking the executable. The executable is not actually
266 # using the shared library. If we have built the static library, then we
267 # link that into the executable.
268 elog "Linking executable..."
269 if use static-libs; then
270 lmp_emake -C src mode=exe serial
271 else
272 lmp_emake -C src mode=shexe serial
273 fi
274
275 # Compile tools.
276 elog "Building tools..."
277 lmp_emake -C tools binary2txt chain data2xmovie micelle2d
278 }
279
280 src_install() {
281 use static-libs && newlib.a src/liblammps_serial.a liblammps.a
282 newlib.so src/liblammps_serial.so liblammps.so.0.0.0
283 dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
284 dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
285 newbin src/lmp_serial lmp
286 dobin tools/binary2txt
287 dobin tools/chain
288 dobin tools/data2xmovie
289 dobin tools/micelle2d
290 # Don't forget to add header files of optional packages as they are added
291 # to this ebuild. There may also be .mod files from Fortran based
292 # packages.
293 insinto "/usr/include/${PN}"
294 doins -r src/*.h lib/meam/*.mod
295
296 local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
297 insinto "/${LAMMPS_POTENTIALS}"
298 doins potentials/*
299 echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
300 doenvd 99lammps
301
302 # Install python script.
303 use python && python_foreach_impl python_domodule python/lammps.py
304
305 if use examples; then
306 local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
307 insinto "${LAMMPS_EXAMPLES}"
308 doins -r examples/*
309 fi
310
311 dodoc README
312 if use doc; then
313 dodoc doc/Manual.pdf
314 dohtml -r doc/*
315 fi
316 }
317
318
319
320 1.1 sci-physics/lammps/lammps-20150721.ebuild
321
322 file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20150721.ebuild?rev=1.1&view=markup
323 plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20150721.ebuild?rev=1.1&content-type=text/plain
324
325 Index: lammps-20150721.ebuild
326 ===================================================================
327 # Copyright 1999-2015 Gentoo Foundation
328 # Distributed under the terms of the GNU General Public License v2
329 # $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20150721.ebuild,v 1.1 2015/07/24 12:22:22 nicolasbock Exp $
330
331 EAPI=5
332
333 PYTHON_COMPAT=( python{2_7,3_3} )
334
335 inherit eutils flag-o-matic fortran-2 multilib python-r1
336
337 convert_month() {
338 case $1 in
339 01) echo Jan
340 ;;
341 02) echo Feb
342 ;;
343 03) echo Mar
344 ;;
345 04) echo Apr
346 ;;
347 05) echo May
348 ;;
349 06) echo Jun
350 ;;
351 07) echo Jul
352 ;;
353 08) echo Aug
354 ;;
355 09) echo Sep
356 ;;
357 10) echo Oct
358 ;;
359 11) echo Nov
360 ;;
361 12) echo Dec
362 ;;
363 *) echo unknown
364 ;;
365 esac
366 }
367
368 MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
369
370 DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
371 HOMEPAGE="http://lammps.sandia.gov/"
372 SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
373
374 LICENSE="GPL-2"
375 SLOT="0"
376 KEYWORDS="~amd64 ~x86"
377 IUSE="doc examples gzip lammps-memalign mpi python static-libs"
378
379 DEPEND="
380 mpi? (
381 virtual/blas
382 virtual/lapack
383 virtual/mpi
384 )
385 gzip? ( app-arch/gzip )
386 sci-libs/voro++
387 python? ( ${PYTHON_DEPS} )
388 "
389 RDEPEND="${DEPEND}"
390
391 REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
392
393 S="${WORKDIR}/${MY_P}"
394
395 lmp_emake() {
396 local LAMMPS_INCLUDEFLAGS
397 LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
398 LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
399
400 # The lammps makefile uses CC to indicate the C++ compiler.
401 emake \
402 ARCHIVE=$(tc-getAR) \
403 CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
404 F90=$(usex mpi "mpif90" "$(tc-getFC)") \
405 LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
406 CCFLAGS="${CXXFLAGS}" \
407 F90FLAGS="${FCFLAGS}" \
408 LINKFLAGS="${LDFLAGS}" \
409 LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
410 MPI_INC=$(usex mpi "" "-I../STUBS") \
411 MPI_PATH=$(usex mpi "" "-L../STUBS") \
412 MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
413 user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
414 "$@"
415 }
416
417 lmp_activate_packages() {
418 # Build packages
419 lmp_emake -C src yes-asphere
420 lmp_emake -C src yes-body
421 lmp_emake -C src yes-class2
422 lmp_emake -C src yes-colloid
423 lmp_emake -C src yes-coreshell
424 lmp_emake -C src yes-dipole
425 lmp_emake -C src yes-fld
426 #lmp_emake -C src yes-gpu
427 lmp_emake -C src yes-granular
428 # Need OpenKIM external dependency.
429 #lmp_emake -C src yes-kim
430 # Need Kokkos external dependency.
431 #lmp_emake -C src yes-kokkos
432 lmp_emake -C src yes-kspace
433 lmp_emake -C src yes-manybody
434 lmp_emake -C src yes-mc
435 lmp_emake -C src yes-meam
436 lmp_emake -C src yes-misc
437 lmp_emake -C src yes-molecule
438 #lmp_emake -C src yes-mpiio
439 lmp_emake -C src yes-opt
440 lmp_emake -C src yes-peri
441 lmp_emake -C src yes-poems
442 lmp_emake -C src yes-qeq
443 lmp_emake -C src yes-reax
444 lmp_emake -C src yes-replica
445 lmp_emake -C src yes-rigid
446 lmp_emake -C src yes-shock
447 lmp_emake -C src yes-snap
448 lmp_emake -C src yes-srd
449 lmp_emake -C src yes-voronoi
450 lmp_emake -C src yes-xtc
451
452 if use mpi; then
453 lmp_emake -C src yes-user-atc
454 fi
455 lmp_emake -C src yes-user-eff
456 lmp_emake -C src yes-user-fep
457 use mpi && lmp_emake -C src yes-user-lb
458 lmp_emake -C src yes-user-phonon
459 lmp_emake -C src yes-user-sph
460 }
461
462 lmp_build_packages() {
463 lmp_emake -C lib/meam -j1 -f Makefile.gfortran
464 lmp_emake -C lib/poems -f Makefile.g++
465 lmp_emake -C lib/reax -j1 -f Makefile.gfortran
466 use mpi && lmp_emake -C lib/atc -f Makefile.g++
467 }
468
469 lmp_clean_packages() {
470 lmp_emake -C lib/meam -f Makefile.gfortran clean
471 lmp_emake -C lib/poems -f Makefile.g++ clean
472 lmp_emake -C lib/reax -f Makefile.gfortran clean
473 use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
474 }
475
476 src_prepare() {
477 # Fix inconsistent use of SHFLAGS.
478 sed -i \
479 -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
480 -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
481 lib/voronoi/Makefile.lammps || die
482
483 # Fix missing .so name.
484 sed -i \
485 -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
486 src/MAKE/Makefile.serial || die
487
488 # Fix makefile in tools.
489 sed -i \
490 -e 's:g++:$(CXX) $(CXXFLAGS):' \
491 -e 's:gcc:$(CC) $(CCFLAGS):' \
492 -e 's:ifort:$(FC) $(FCFLAGS):' \
493 tools/Makefile || die
494
495 # Patch python.
496 epatch "${FILESDIR}/lammps-python3.patch"
497 epatch "${FILESDIR}/python-shebang.patch"
498 }
499
500 src_compile() {
501 # Fix atc...
502 append-cxxflags -I../../src
503
504 # Acticate packages.
505 elog "Activating lammps packages..."
506 lmp_activate_packages
507
508 # Compile stubs for serial version.
509 use mpi || lmp_emake -C src mpi-stubs
510
511 elog "Building packages..."
512 lmp_build_packages
513
514 if use static-libs; then
515 # Build static library.
516 elog "Building static library..."
517 lmp_emake -C src mode=lib serial
518 fi
519
520 # Clean out packages (that's not done by the build system with the clean
521 # target), so we can rebuild the packages with -fPIC.
522 elog "Cleaning packages..."
523 lmp_clean_packages
524
525 # The build system does not rebuild the packages with -fPIC, adding flag
526 # manually.
527 append-cxxflags -fPIC
528 append-fflags -fPIC
529
530 # Compile stubs for serial version.
531 use mpi || lmp_emake -C src mpi-stubs
532
533 elog "Building packages..."
534 lmp_build_packages
535
536 # Build shared library.
537 elog "Building shared library..."
538 lmp_emake -C src mode=shlib serial
539
540 # Compile main executable. The shared library is always built, and
541 # mode=shexe is simply a way to re-use the object files built in the
542 # "shlib" step when linking the executable. The executable is not actually
543 # using the shared library. If we have built the static library, then we
544 # link that into the executable.
545 elog "Linking executable..."
546 if use static-libs; then
547 lmp_emake -C src mode=exe serial
548 else
549 lmp_emake -C src mode=shexe serial
550 fi
551
552 # Compile tools.
553 elog "Building tools..."
554 lmp_emake -C tools binary2txt chain data2xmovie micelle2d
555 }
556
557 src_install() {
558 use static-libs && newlib.a src/liblammps_serial.a liblammps.a
559 newlib.so src/liblammps_serial.so liblammps.so.0.0.0
560 dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
561 dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
562 newbin src/lmp_serial lmp
563 dobin tools/binary2txt
564 dobin tools/chain
565 dobin tools/data2xmovie
566 dobin tools/micelle2d
567 # Don't forget to add header files of optional packages as they are added
568 # to this ebuild. There may also be .mod files from Fortran based
569 # packages.
570 insinto "/usr/include/${PN}"
571 doins -r src/*.h lib/meam/*.mod
572
573 local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
574 insinto "/${LAMMPS_POTENTIALS}"
575 doins potentials/*
576 echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
577 doenvd 99lammps
578
579 # Install python script.
580 use python && python_foreach_impl python_domodule python/lammps.py
581
582 if use examples; then
583 local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
584 insinto "${LAMMPS_EXAMPLES}"
585 doins -r examples/*
586 fi
587
588 dodoc README
589 if use doc; then
590 dodoc doc/Manual.pdf
591 dohtml -r doc/*
592 fi
593 }
Report Message
Find on MARC Find on Google Groups