Gentoo Archives: gentoo-commits

From: Nicolas Bock <nicolasbock@g.o>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
Date: Wed, 28 Oct 2015 19:30:38
Message-Id: 1446060602.9ec5a07446cdd2ab66a71b34e3d6815fd357bb47.nicolasbock@gentoo
1 commit: 9ec5a07446cdd2ab66a71b34e3d6815fd357bb47
2 Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
3 AuthorDate: Wed Oct 28 19:30:02 2015 +0000
4 Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
5 CommitDate: Wed Oct 28 19:30:02 2015 +0000
6 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=9ec5a074
7
8 sci-physics/lammps: Remove old versions
9
10 Package-Manager: portage-2.2.20.1
11
12 sci-physics/lammps/Manifest | 3 -
13 sci-physics/lammps/lammps-20150818.ebuild | 267 ------------------------------
14 sci-physics/lammps/lammps-20150821.ebuild | 267 ------------------------------
15 sci-physics/lammps/lammps-20150829.ebuild | 267 ------------------------------
16 4 files changed, 804 deletions(-)
17
18 diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
19 index 65e5628..6db6fd5 100644
20 --- a/sci-physics/lammps/Manifest
21 +++ b/sci-physics/lammps/Manifest
22 @@ -2,13 +2,10 @@ DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d
23 DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
24 DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
25 DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
26 -DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
27 -DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
28 DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
29 DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
30 DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
31 DIST lammps-26Oct15.tar.gz 89265403 SHA256 c69356b3056881cbbb7eb659eb9cd4fc9d86e7f010502fe47c91ed865cbabea7 SHA512 738cd9fb7b11cb1e7304814ac4463d534f0a5dda1c70cc483d3c19b038c15cd61a2c03c6972cccc69afbe42d88bf01ef33d0972bba9516a840026891fc3f144a WHIRLPOOL c7c7882e32b026cdba0d5bceb1ecfa4127e77edeb9d567760e19d6103109fdf9cefe79a17fd6e3291d04347984cfdb1a999136ead0be20f0173a73e53f106d95
32 -DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
33 DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
34 DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
35 DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
36
37 diff --git a/sci-physics/lammps/lammps-20150818.ebuild b/sci-physics/lammps/lammps-20150818.ebuild
38 deleted file mode 100644
39 index 1a244c8..0000000
40 --- a/sci-physics/lammps/lammps-20150818.ebuild
41 +++ /dev/null
42 @@ -1,267 +0,0 @@
43 -# Copyright 1999-2015 Gentoo Foundation
44 -# Distributed under the terms of the GNU General Public License v2
45 -# $Id$
46 -
47 -EAPI=5
48 -
49 -PYTHON_COMPAT=( python{2_7,3_3} )
50 -
51 -inherit eutils flag-o-matic fortran-2 multilib python-r1
52 -
53 -convert_month() {
54 - case $1 in
55 - 01) echo Jan
56 - ;;
57 - 02) echo Feb
58 - ;;
59 - 03) echo Mar
60 - ;;
61 - 04) echo Apr
62 - ;;
63 - 05) echo May
64 - ;;
65 - 06) echo Jun
66 - ;;
67 - 07) echo Jul
68 - ;;
69 - 08) echo Aug
70 - ;;
71 - 09) echo Sep
72 - ;;
73 - 10) echo Oct
74 - ;;
75 - 11) echo Nov
76 - ;;
77 - 12) echo Dec
78 - ;;
79 - *) echo unknown
80 - ;;
81 - esac
82 -}
83 -
84 -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
85 -
86 -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
87 -HOMEPAGE="http://lammps.sandia.gov/"
88 -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
89 -
90 -LICENSE="GPL-2"
91 -SLOT="0"
92 -KEYWORDS="~amd64 ~x86"
93 -IUSE="doc examples gzip lammps-memalign mpi python static-libs"
94 -
95 -DEPEND="
96 - mpi? (
97 - virtual/blas
98 - virtual/lapack
99 - virtual/mpi
100 - )
101 - gzip? ( app-arch/gzip )
102 - sci-libs/voro++
103 - python? ( ${PYTHON_DEPS} )
104 - "
105 -RDEPEND="${DEPEND}"
106 -
107 -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
108 -
109 -S="${WORKDIR}/${MY_P}"
110 -
111 -lmp_emake() {
112 - local LAMMPS_INCLUDEFLAGS
113 - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
114 - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
115 -
116 - # The lammps makefile uses CC to indicate the C++ compiler.
117 - emake \
118 - ARCHIVE=$(tc-getAR) \
119 - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
120 - F90=$(usex mpi "mpif90" "$(tc-getFC)") \
121 - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
122 - CCFLAGS="${CXXFLAGS}" \
123 - F90FLAGS="${FCFLAGS}" \
124 - LINKFLAGS="${LDFLAGS}" \
125 - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
126 - MPI_INC=$(usex mpi "" "-I../STUBS") \
127 - MPI_PATH=$(usex mpi "" "-L../STUBS") \
128 - MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
129 - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
130 - "$@"
131 -}
132 -
133 -lmp_activate_packages() {
134 - # Build packages
135 - lmp_emake -C src yes-asphere
136 - lmp_emake -C src yes-body
137 - lmp_emake -C src yes-class2
138 - lmp_emake -C src yes-colloid
139 - lmp_emake -C src yes-coreshell
140 - lmp_emake -C src yes-dipole
141 - lmp_emake -C src yes-fld
142 - #lmp_emake -C src yes-gpu
143 - lmp_emake -C src yes-granular
144 - # Need OpenKIM external dependency.
145 - #lmp_emake -C src yes-kim
146 - # Need Kokkos external dependency.
147 - #lmp_emake -C src yes-kokkos
148 - lmp_emake -C src yes-kspace
149 - lmp_emake -C src yes-manybody
150 - lmp_emake -C src yes-mc
151 - lmp_emake -C src yes-meam
152 - lmp_emake -C src yes-misc
153 - lmp_emake -C src yes-molecule
154 - #lmp_emake -C src yes-mpiio
155 - lmp_emake -C src yes-opt
156 - lmp_emake -C src yes-peri
157 - lmp_emake -C src yes-poems
158 - lmp_emake -C src yes-qeq
159 - lmp_emake -C src yes-reax
160 - lmp_emake -C src yes-replica
161 - lmp_emake -C src yes-rigid
162 - lmp_emake -C src yes-shock
163 - lmp_emake -C src yes-snap
164 - lmp_emake -C src yes-srd
165 - lmp_emake -C src yes-voronoi
166 - lmp_emake -C src yes-xtc
167 -
168 - if use mpi; then
169 - lmp_emake -C src yes-user-atc
170 - fi
171 - lmp_emake -C src yes-user-eff
172 - lmp_emake -C src yes-user-fep
173 - use mpi && lmp_emake -C src yes-user-lb
174 - lmp_emake -C src yes-user-phonon
175 - lmp_emake -C src yes-user-sph
176 -}
177 -
178 -lmp_build_packages() {
179 - lmp_emake -C lib/meam -j1 -f Makefile.gfortran
180 - lmp_emake -C lib/poems -f Makefile.g++
181 - lmp_emake -C lib/reax -j1 -f Makefile.gfortran
182 - use mpi && lmp_emake -C lib/atc -f Makefile.g++
183 -}
184 -
185 -lmp_clean_packages() {
186 - lmp_emake -C lib/meam -f Makefile.gfortran clean
187 - lmp_emake -C lib/poems -f Makefile.g++ clean
188 - lmp_emake -C lib/reax -f Makefile.gfortran clean
189 - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
190 -}
191 -
192 -src_prepare() {
193 - # Fix inconsistent use of SHFLAGS.
194 - sed -i \
195 - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
196 - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
197 - lib/voronoi/Makefile.lammps || die
198 -
199 - # Fix missing .so name.
200 - sed -i \
201 - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
202 - src/MAKE/Makefile.serial || die
203 -
204 - # Fix makefile in tools.
205 - sed -i \
206 - -e 's:g++:$(CXX) $(CXXFLAGS):' \
207 - -e 's:gcc:$(CC) $(CCFLAGS):' \
208 - -e 's:ifort:$(FC) $(FCFLAGS):' \
209 - tools/Makefile || die
210 -
211 - # Patch python.
212 - epatch "${FILESDIR}/lammps-python3.patch"
213 - epatch "${FILESDIR}/python-shebang.patch"
214 -}
215 -
216 -src_compile() {
217 - # Fix atc...
218 - append-cxxflags -I../../src
219 -
220 - # Acticate packages.
221 - elog "Activating lammps packages..."
222 - lmp_activate_packages
223 -
224 - # Compile stubs for serial version.
225 - use mpi || lmp_emake -C src mpi-stubs
226 -
227 - elog "Building packages..."
228 - lmp_build_packages
229 -
230 - if use static-libs; then
231 - # Build static library.
232 - elog "Building static library..."
233 - lmp_emake -C src mode=lib serial
234 - fi
235 -
236 - # Clean out packages (that's not done by the build system with the clean
237 - # target), so we can rebuild the packages with -fPIC.
238 - elog "Cleaning packages..."
239 - lmp_clean_packages
240 -
241 - # The build system does not rebuild the packages with -fPIC, adding flag
242 - # manually.
243 - append-cxxflags -fPIC
244 - append-fflags -fPIC
245 -
246 - # Compile stubs for serial version.
247 - use mpi || lmp_emake -C src mpi-stubs
248 -
249 - elog "Building packages..."
250 - lmp_build_packages
251 -
252 - # Build shared library.
253 - elog "Building shared library..."
254 - lmp_emake -C src mode=shlib serial
255 -
256 - # Compile main executable. The shared library is always built, and
257 - # mode=shexe is simply a way to re-use the object files built in the
258 - # "shlib" step when linking the executable. The executable is not actually
259 - # using the shared library. If we have built the static library, then we
260 - # link that into the executable.
261 - elog "Linking executable..."
262 - if use static-libs; then
263 - lmp_emake -C src mode=exe serial
264 - else
265 - lmp_emake -C src mode=shexe serial
266 - fi
267 -
268 - # Compile tools.
269 - elog "Building tools..."
270 - lmp_emake -C tools binary2txt chain data2xmovie micelle2d
271 -}
272 -
273 -src_install() {
274 - use static-libs && newlib.a src/liblammps_serial.a liblammps.a
275 - newlib.so src/liblammps_serial.so liblammps.so.0.0.0
276 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
277 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
278 - newbin src/lmp_serial lmp
279 - dobin tools/binary2txt
280 - dobin tools/chain
281 - dobin tools/data2xmovie
282 - dobin tools/micelle2d
283 - # Don't forget to add header files of optional packages as they are added
284 - # to this ebuild. There may also be .mod files from Fortran based
285 - # packages.
286 - insinto "/usr/include/${PN}"
287 - doins -r src/*.h lib/meam/*.mod
288 -
289 - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
290 - insinto "/${LAMMPS_POTENTIALS}"
291 - doins potentials/*
292 - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
293 - doenvd 99lammps
294 -
295 - # Install python script.
296 - use python && python_foreach_impl python_domodule python/lammps.py
297 -
298 - if use examples; then
299 - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
300 - insinto "${LAMMPS_EXAMPLES}"
301 - doins -r examples/*
302 - fi
303 -
304 - dodoc README
305 - if use doc; then
306 - dodoc doc/Manual.pdf
307 - dohtml -r doc/*
308 - fi
309 -}
310
311 diff --git a/sci-physics/lammps/lammps-20150821.ebuild b/sci-physics/lammps/lammps-20150821.ebuild
312 deleted file mode 100644
313 index 1a244c8..0000000
314 --- a/sci-physics/lammps/lammps-20150821.ebuild
315 +++ /dev/null
316 @@ -1,267 +0,0 @@
317 -# Copyright 1999-2015 Gentoo Foundation
318 -# Distributed under the terms of the GNU General Public License v2
319 -# $Id$
320 -
321 -EAPI=5
322 -
323 -PYTHON_COMPAT=( python{2_7,3_3} )
324 -
325 -inherit eutils flag-o-matic fortran-2 multilib python-r1
326 -
327 -convert_month() {
328 - case $1 in
329 - 01) echo Jan
330 - ;;
331 - 02) echo Feb
332 - ;;
333 - 03) echo Mar
334 - ;;
335 - 04) echo Apr
336 - ;;
337 - 05) echo May
338 - ;;
339 - 06) echo Jun
340 - ;;
341 - 07) echo Jul
342 - ;;
343 - 08) echo Aug
344 - ;;
345 - 09) echo Sep
346 - ;;
347 - 10) echo Oct
348 - ;;
349 - 11) echo Nov
350 - ;;
351 - 12) echo Dec
352 - ;;
353 - *) echo unknown
354 - ;;
355 - esac
356 -}
357 -
358 -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
359 -
360 -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
361 -HOMEPAGE="http://lammps.sandia.gov/"
362 -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
363 -
364 -LICENSE="GPL-2"
365 -SLOT="0"
366 -KEYWORDS="~amd64 ~x86"
367 -IUSE="doc examples gzip lammps-memalign mpi python static-libs"
368 -
369 -DEPEND="
370 - mpi? (
371 - virtual/blas
372 - virtual/lapack
373 - virtual/mpi
374 - )
375 - gzip? ( app-arch/gzip )
376 - sci-libs/voro++
377 - python? ( ${PYTHON_DEPS} )
378 - "
379 -RDEPEND="${DEPEND}"
380 -
381 -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
382 -
383 -S="${WORKDIR}/${MY_P}"
384 -
385 -lmp_emake() {
386 - local LAMMPS_INCLUDEFLAGS
387 - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
388 - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
389 -
390 - # The lammps makefile uses CC to indicate the C++ compiler.
391 - emake \
392 - ARCHIVE=$(tc-getAR) \
393 - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
394 - F90=$(usex mpi "mpif90" "$(tc-getFC)") \
395 - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
396 - CCFLAGS="${CXXFLAGS}" \
397 - F90FLAGS="${FCFLAGS}" \
398 - LINKFLAGS="${LDFLAGS}" \
399 - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
400 - MPI_INC=$(usex mpi "" "-I../STUBS") \
401 - MPI_PATH=$(usex mpi "" "-L../STUBS") \
402 - MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
403 - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
404 - "$@"
405 -}
406 -
407 -lmp_activate_packages() {
408 - # Build packages
409 - lmp_emake -C src yes-asphere
410 - lmp_emake -C src yes-body
411 - lmp_emake -C src yes-class2
412 - lmp_emake -C src yes-colloid
413 - lmp_emake -C src yes-coreshell
414 - lmp_emake -C src yes-dipole
415 - lmp_emake -C src yes-fld
416 - #lmp_emake -C src yes-gpu
417 - lmp_emake -C src yes-granular
418 - # Need OpenKIM external dependency.
419 - #lmp_emake -C src yes-kim
420 - # Need Kokkos external dependency.
421 - #lmp_emake -C src yes-kokkos
422 - lmp_emake -C src yes-kspace
423 - lmp_emake -C src yes-manybody
424 - lmp_emake -C src yes-mc
425 - lmp_emake -C src yes-meam
426 - lmp_emake -C src yes-misc
427 - lmp_emake -C src yes-molecule
428 - #lmp_emake -C src yes-mpiio
429 - lmp_emake -C src yes-opt
430 - lmp_emake -C src yes-peri
431 - lmp_emake -C src yes-poems
432 - lmp_emake -C src yes-qeq
433 - lmp_emake -C src yes-reax
434 - lmp_emake -C src yes-replica
435 - lmp_emake -C src yes-rigid
436 - lmp_emake -C src yes-shock
437 - lmp_emake -C src yes-snap
438 - lmp_emake -C src yes-srd
439 - lmp_emake -C src yes-voronoi
440 - lmp_emake -C src yes-xtc
441 -
442 - if use mpi; then
443 - lmp_emake -C src yes-user-atc
444 - fi
445 - lmp_emake -C src yes-user-eff
446 - lmp_emake -C src yes-user-fep
447 - use mpi && lmp_emake -C src yes-user-lb
448 - lmp_emake -C src yes-user-phonon
449 - lmp_emake -C src yes-user-sph
450 -}
451 -
452 -lmp_build_packages() {
453 - lmp_emake -C lib/meam -j1 -f Makefile.gfortran
454 - lmp_emake -C lib/poems -f Makefile.g++
455 - lmp_emake -C lib/reax -j1 -f Makefile.gfortran
456 - use mpi && lmp_emake -C lib/atc -f Makefile.g++
457 -}
458 -
459 -lmp_clean_packages() {
460 - lmp_emake -C lib/meam -f Makefile.gfortran clean
461 - lmp_emake -C lib/poems -f Makefile.g++ clean
462 - lmp_emake -C lib/reax -f Makefile.gfortran clean
463 - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
464 -}
465 -
466 -src_prepare() {
467 - # Fix inconsistent use of SHFLAGS.
468 - sed -i \
469 - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
470 - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
471 - lib/voronoi/Makefile.lammps || die
472 -
473 - # Fix missing .so name.
474 - sed -i \
475 - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
476 - src/MAKE/Makefile.serial || die
477 -
478 - # Fix makefile in tools.
479 - sed -i \
480 - -e 's:g++:$(CXX) $(CXXFLAGS):' \
481 - -e 's:gcc:$(CC) $(CCFLAGS):' \
482 - -e 's:ifort:$(FC) $(FCFLAGS):' \
483 - tools/Makefile || die
484 -
485 - # Patch python.
486 - epatch "${FILESDIR}/lammps-python3.patch"
487 - epatch "${FILESDIR}/python-shebang.patch"
488 -}
489 -
490 -src_compile() {
491 - # Fix atc...
492 - append-cxxflags -I../../src
493 -
494 - # Acticate packages.
495 - elog "Activating lammps packages..."
496 - lmp_activate_packages
497 -
498 - # Compile stubs for serial version.
499 - use mpi || lmp_emake -C src mpi-stubs
500 -
501 - elog "Building packages..."
502 - lmp_build_packages
503 -
504 - if use static-libs; then
505 - # Build static library.
506 - elog "Building static library..."
507 - lmp_emake -C src mode=lib serial
508 - fi
509 -
510 - # Clean out packages (that's not done by the build system with the clean
511 - # target), so we can rebuild the packages with -fPIC.
512 - elog "Cleaning packages..."
513 - lmp_clean_packages
514 -
515 - # The build system does not rebuild the packages with -fPIC, adding flag
516 - # manually.
517 - append-cxxflags -fPIC
518 - append-fflags -fPIC
519 -
520 - # Compile stubs for serial version.
521 - use mpi || lmp_emake -C src mpi-stubs
522 -
523 - elog "Building packages..."
524 - lmp_build_packages
525 -
526 - # Build shared library.
527 - elog "Building shared library..."
528 - lmp_emake -C src mode=shlib serial
529 -
530 - # Compile main executable. The shared library is always built, and
531 - # mode=shexe is simply a way to re-use the object files built in the
532 - # "shlib" step when linking the executable. The executable is not actually
533 - # using the shared library. If we have built the static library, then we
534 - # link that into the executable.
535 - elog "Linking executable..."
536 - if use static-libs; then
537 - lmp_emake -C src mode=exe serial
538 - else
539 - lmp_emake -C src mode=shexe serial
540 - fi
541 -
542 - # Compile tools.
543 - elog "Building tools..."
544 - lmp_emake -C tools binary2txt chain data2xmovie micelle2d
545 -}
546 -
547 -src_install() {
548 - use static-libs && newlib.a src/liblammps_serial.a liblammps.a
549 - newlib.so src/liblammps_serial.so liblammps.so.0.0.0
550 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
551 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
552 - newbin src/lmp_serial lmp
553 - dobin tools/binary2txt
554 - dobin tools/chain
555 - dobin tools/data2xmovie
556 - dobin tools/micelle2d
557 - # Don't forget to add header files of optional packages as they are added
558 - # to this ebuild. There may also be .mod files from Fortran based
559 - # packages.
560 - insinto "/usr/include/${PN}"
561 - doins -r src/*.h lib/meam/*.mod
562 -
563 - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
564 - insinto "/${LAMMPS_POTENTIALS}"
565 - doins potentials/*
566 - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
567 - doenvd 99lammps
568 -
569 - # Install python script.
570 - use python && python_foreach_impl python_domodule python/lammps.py
571 -
572 - if use examples; then
573 - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
574 - insinto "${LAMMPS_EXAMPLES}"
575 - doins -r examples/*
576 - fi
577 -
578 - dodoc README
579 - if use doc; then
580 - dodoc doc/Manual.pdf
581 - dohtml -r doc/*
582 - fi
583 -}
584
585 diff --git a/sci-physics/lammps/lammps-20150829.ebuild b/sci-physics/lammps/lammps-20150829.ebuild
586 deleted file mode 100644
587 index 1a244c8..0000000
588 --- a/sci-physics/lammps/lammps-20150829.ebuild
589 +++ /dev/null
590 @@ -1,267 +0,0 @@
591 -# Copyright 1999-2015 Gentoo Foundation
592 -# Distributed under the terms of the GNU General Public License v2
593 -# $Id$
594 -
595 -EAPI=5
596 -
597 -PYTHON_COMPAT=( python{2_7,3_3} )
598 -
599 -inherit eutils flag-o-matic fortran-2 multilib python-r1
600 -
601 -convert_month() {
602 - case $1 in
603 - 01) echo Jan
604 - ;;
605 - 02) echo Feb
606 - ;;
607 - 03) echo Mar
608 - ;;
609 - 04) echo Apr
610 - ;;
611 - 05) echo May
612 - ;;
613 - 06) echo Jun
614 - ;;
615 - 07) echo Jul
616 - ;;
617 - 08) echo Aug
618 - ;;
619 - 09) echo Sep
620 - ;;
621 - 10) echo Oct
622 - ;;
623 - 11) echo Nov
624 - ;;
625 - 12) echo Dec
626 - ;;
627 - *) echo unknown
628 - ;;
629 - esac
630 -}
631 -
632 -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
633 -
634 -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
635 -HOMEPAGE="http://lammps.sandia.gov/"
636 -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
637 -
638 -LICENSE="GPL-2"
639 -SLOT="0"
640 -KEYWORDS="~amd64 ~x86"
641 -IUSE="doc examples gzip lammps-memalign mpi python static-libs"
642 -
643 -DEPEND="
644 - mpi? (
645 - virtual/blas
646 - virtual/lapack
647 - virtual/mpi
648 - )
649 - gzip? ( app-arch/gzip )
650 - sci-libs/voro++
651 - python? ( ${PYTHON_DEPS} )
652 - "
653 -RDEPEND="${DEPEND}"
654 -
655 -REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
656 -
657 -S="${WORKDIR}/${MY_P}"
658 -
659 -lmp_emake() {
660 - local LAMMPS_INCLUDEFLAGS
661 - LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
662 - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
663 -
664 - # The lammps makefile uses CC to indicate the C++ compiler.
665 - emake \
666 - ARCHIVE=$(tc-getAR) \
667 - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
668 - F90=$(usex mpi "mpif90" "$(tc-getFC)") \
669 - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
670 - CCFLAGS="${CXXFLAGS}" \
671 - F90FLAGS="${FCFLAGS}" \
672 - LINKFLAGS="${LDFLAGS}" \
673 - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
674 - MPI_INC=$(usex mpi "" "-I../STUBS") \
675 - MPI_PATH=$(usex mpi "" "-L../STUBS") \
676 - MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
677 - user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
678 - "$@"
679 -}
680 -
681 -lmp_activate_packages() {
682 - # Build packages
683 - lmp_emake -C src yes-asphere
684 - lmp_emake -C src yes-body
685 - lmp_emake -C src yes-class2
686 - lmp_emake -C src yes-colloid
687 - lmp_emake -C src yes-coreshell
688 - lmp_emake -C src yes-dipole
689 - lmp_emake -C src yes-fld
690 - #lmp_emake -C src yes-gpu
691 - lmp_emake -C src yes-granular
692 - # Need OpenKIM external dependency.
693 - #lmp_emake -C src yes-kim
694 - # Need Kokkos external dependency.
695 - #lmp_emake -C src yes-kokkos
696 - lmp_emake -C src yes-kspace
697 - lmp_emake -C src yes-manybody
698 - lmp_emake -C src yes-mc
699 - lmp_emake -C src yes-meam
700 - lmp_emake -C src yes-misc
701 - lmp_emake -C src yes-molecule
702 - #lmp_emake -C src yes-mpiio
703 - lmp_emake -C src yes-opt
704 - lmp_emake -C src yes-peri
705 - lmp_emake -C src yes-poems
706 - lmp_emake -C src yes-qeq
707 - lmp_emake -C src yes-reax
708 - lmp_emake -C src yes-replica
709 - lmp_emake -C src yes-rigid
710 - lmp_emake -C src yes-shock
711 - lmp_emake -C src yes-snap
712 - lmp_emake -C src yes-srd
713 - lmp_emake -C src yes-voronoi
714 - lmp_emake -C src yes-xtc
715 -
716 - if use mpi; then
717 - lmp_emake -C src yes-user-atc
718 - fi
719 - lmp_emake -C src yes-user-eff
720 - lmp_emake -C src yes-user-fep
721 - use mpi && lmp_emake -C src yes-user-lb
722 - lmp_emake -C src yes-user-phonon
723 - lmp_emake -C src yes-user-sph
724 -}
725 -
726 -lmp_build_packages() {
727 - lmp_emake -C lib/meam -j1 -f Makefile.gfortran
728 - lmp_emake -C lib/poems -f Makefile.g++
729 - lmp_emake -C lib/reax -j1 -f Makefile.gfortran
730 - use mpi && lmp_emake -C lib/atc -f Makefile.g++
731 -}
732 -
733 -lmp_clean_packages() {
734 - lmp_emake -C lib/meam -f Makefile.gfortran clean
735 - lmp_emake -C lib/poems -f Makefile.g++ clean
736 - lmp_emake -C lib/reax -f Makefile.gfortran clean
737 - use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
738 -}
739 -
740 -src_prepare() {
741 - # Fix inconsistent use of SHFLAGS.
742 - sed -i \
743 - -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
744 - -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
745 - lib/voronoi/Makefile.lammps || die
746 -
747 - # Fix missing .so name.
748 - sed -i \
749 - -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
750 - src/MAKE/Makefile.serial || die
751 -
752 - # Fix makefile in tools.
753 - sed -i \
754 - -e 's:g++:$(CXX) $(CXXFLAGS):' \
755 - -e 's:gcc:$(CC) $(CCFLAGS):' \
756 - -e 's:ifort:$(FC) $(FCFLAGS):' \
757 - tools/Makefile || die
758 -
759 - # Patch python.
760 - epatch "${FILESDIR}/lammps-python3.patch"
761 - epatch "${FILESDIR}/python-shebang.patch"
762 -}
763 -
764 -src_compile() {
765 - # Fix atc...
766 - append-cxxflags -I../../src
767 -
768 - # Acticate packages.
769 - elog "Activating lammps packages..."
770 - lmp_activate_packages
771 -
772 - # Compile stubs for serial version.
773 - use mpi || lmp_emake -C src mpi-stubs
774 -
775 - elog "Building packages..."
776 - lmp_build_packages
777 -
778 - if use static-libs; then
779 - # Build static library.
780 - elog "Building static library..."
781 - lmp_emake -C src mode=lib serial
782 - fi
783 -
784 - # Clean out packages (that's not done by the build system with the clean
785 - # target), so we can rebuild the packages with -fPIC.
786 - elog "Cleaning packages..."
787 - lmp_clean_packages
788 -
789 - # The build system does not rebuild the packages with -fPIC, adding flag
790 - # manually.
791 - append-cxxflags -fPIC
792 - append-fflags -fPIC
793 -
794 - # Compile stubs for serial version.
795 - use mpi || lmp_emake -C src mpi-stubs
796 -
797 - elog "Building packages..."
798 - lmp_build_packages
799 -
800 - # Build shared library.
801 - elog "Building shared library..."
802 - lmp_emake -C src mode=shlib serial
803 -
804 - # Compile main executable. The shared library is always built, and
805 - # mode=shexe is simply a way to re-use the object files built in the
806 - # "shlib" step when linking the executable. The executable is not actually
807 - # using the shared library. If we have built the static library, then we
808 - # link that into the executable.
809 - elog "Linking executable..."
810 - if use static-libs; then
811 - lmp_emake -C src mode=exe serial
812 - else
813 - lmp_emake -C src mode=shexe serial
814 - fi
815 -
816 - # Compile tools.
817 - elog "Building tools..."
818 - lmp_emake -C tools binary2txt chain data2xmovie micelle2d
819 -}
820 -
821 -src_install() {
822 - use static-libs && newlib.a src/liblammps_serial.a liblammps.a
823 - newlib.so src/liblammps_serial.so liblammps.so.0.0.0
824 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
825 - dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
826 - newbin src/lmp_serial lmp
827 - dobin tools/binary2txt
828 - dobin tools/chain
829 - dobin tools/data2xmovie
830 - dobin tools/micelle2d
831 - # Don't forget to add header files of optional packages as they are added
832 - # to this ebuild. There may also be .mod files from Fortran based
833 - # packages.
834 - insinto "/usr/include/${PN}"
835 - doins -r src/*.h lib/meam/*.mod
836 -
837 - local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
838 - insinto "/${LAMMPS_POTENTIALS}"
839 - doins potentials/*
840 - echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
841 - doenvd 99lammps
842 -
843 - # Install python script.
844 - use python && python_foreach_impl python_domodule python/lammps.py
845 -
846 - if use examples; then
847 - local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
848 - insinto "${LAMMPS_EXAMPLES}"
849 - doins -r examples/*
850 - fi
851 -
852 - dodoc README
853 - if use doc; then
854 - dodoc doc/Manual.pdf
855 - dohtml -r doc/*
856 - fi
857 -}