| 1 |
nicolasbock 14/12/30 20:47:51 |
| 2 |
|
| 3 |
Modified: ChangeLog |
| 4 |
Added: lammps-20141217.ebuild lammps-20141222.ebuild |
| 5 |
lammps-20141219.ebuild |
| 6 |
Log: |
| 7 |
sci-physics/lammps: Adding new versions. |
| 8 |
|
| 9 |
(Portage version: 2.2.14/cvs/Linux x86_64, signed Manifest commit with key AC91CA52) |
| 10 |
|
| 11 |
Revision Changes Path |
| 12 |
1.56 sci-physics/lammps/ChangeLog |
| 13 |
|
| 14 |
file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?rev=1.56&view=markup |
| 15 |
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?rev=1.56&content-type=text/plain |
| 16 |
diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?r1=1.55&r2=1.56 |
| 17 |
|
| 18 |
Index: ChangeLog |
| 19 |
=================================================================== |
| 20 |
RCS file: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v |
| 21 |
retrieving revision 1.55 |
| 22 |
retrieving revision 1.56 |
| 23 |
diff -u -r1.55 -r1.56 |
| 24 |
--- ChangeLog 28 Dec 2014 10:13:27 -0000 1.55 |
| 25 |
+++ ChangeLog 30 Dec 2014 20:47:51 -0000 1.56 |
| 26 |
@@ -1,6 +1,14 @@ |
| 27 |
# ChangeLog for sci-physics/lammps |
| 28 |
# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 |
| 29 |
-# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.55 2014/12/28 10:13:27 ago Exp $ |
| 30 |
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.56 2014/12/30 20:47:51 nicolasbock Exp $ |
| 31 |
+ |
| 32 |
+*lammps-20141222 (30 Dec 2014) |
| 33 |
+*lammps-20141217 (30 Dec 2014) |
| 34 |
+*lammps-20141219 (30 Dec 2014) |
| 35 |
+ |
| 36 |
+ 30 Dec 2014; Nicolas Bock <nicolasbock@g.o> +lammps-20141217.ebuild, |
| 37 |
+ +lammps-20141219.ebuild, +lammps-20141222.ebuild: |
| 38 |
+ sci-physics/lammps: Adding new versions. |
| 39 |
|
| 40 |
28 Dec 2014; Agostino Sarubbo <ago@g.o> lammps-20140905.ebuild: |
| 41 |
Stable for x86, wrt bug #532662 |
| 42 |
|
| 43 |
|
| 44 |
|
| 45 |
1.1 sci-physics/lammps/lammps-20141217.ebuild |
| 46 |
|
| 47 |
file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20141217.ebuild?rev=1.1&view=markup |
| 48 |
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20141217.ebuild?rev=1.1&content-type=text/plain |
| 49 |
|
| 50 |
Index: lammps-20141217.ebuild |
| 51 |
=================================================================== |
| 52 |
# Copyright 1999-2014 Gentoo Foundation |
| 53 |
# Distributed under the terms of the GNU General Public License v2 |
| 54 |
# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20141217.ebuild,v 1.1 2014/12/30 20:47:51 nicolasbock Exp $ |
| 55 |
|
| 56 |
EAPI=5 |
| 57 |
|
| 58 |
inherit eutils flag-o-matic fortran-2 multilib |
| 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/${MY_P}.tar.gz" |
| 96 |
|
| 97 |
LICENSE="GPL-2" |
| 98 |
SLOT="0" |
| 99 |
KEYWORDS="~amd64 ~x86" |
| 100 |
IUSE="doc examples gzip lammps-memalign mpi static-libs" |
| 101 |
|
| 102 |
DEPEND=" |
| 103 |
mpi? ( |
| 104 |
virtual/blas |
| 105 |
virtual/lapack |
| 106 |
virtual/mpi |
| 107 |
) |
| 108 |
sci-libs/voro++ |
| 109 |
" |
| 110 |
RDEPEND="${DEPEND}" |
| 111 |
|
| 112 |
S="${WORKDIR}/${MY_P}" |
| 113 |
|
| 114 |
lmp_emake() { |
| 115 |
local LAMMPS_INCLUDEFLAGS |
| 116 |
LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" |
| 117 |
LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" |
| 118 |
|
| 119 |
# The lammps makefile uses CC to indicate the C++ compiler. |
| 120 |
emake \ |
| 121 |
ARCHIVE=$(tc-getAR) \ |
| 122 |
CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
| 123 |
F90=$(usex mpi "mpif90" "$(tc-getFC)") \ |
| 124 |
LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
| 125 |
CCFLAGS="${CXXFLAGS}" \ |
| 126 |
F90FLAGS="${FCFLAGS}" \ |
| 127 |
LINKFLAGS="${LDFLAGS}" \ |
| 128 |
LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ |
| 129 |
MPI_INC=$(usex mpi '' "-I../STUBS") \ |
| 130 |
MPI_PATH=$(usex mpi '' '-L../STUBS') \ |
| 131 |
MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ |
| 132 |
user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ |
| 133 |
"$@" |
| 134 |
} |
| 135 |
|
| 136 |
src_prepare() { |
| 137 |
# Fix inconsistent use of SHFLAGS. |
| 138 |
sed -i \ |
| 139 |
-e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ |
| 140 |
-e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ |
| 141 |
src/VORONOI/Makefile.lammps || die |
| 142 |
|
| 143 |
# Fix missing .so name. |
| 144 |
sed -i \ |
| 145 |
-e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ |
| 146 |
src/MAKE/Makefile.serial || die |
| 147 |
|
| 148 |
# Fix makefile in tools. |
| 149 |
sed -i \ |
| 150 |
-e 's:g++:$(CXX) $(CXXFLAGS):' \ |
| 151 |
-e 's:gcc:$(CC) $(CCFLAGS):' \ |
| 152 |
-e 's:ifort:$(FC) $(FCFLAGS):' \ |
| 153 |
tools/Makefile || die |
| 154 |
} |
| 155 |
|
| 156 |
src_compile() { |
| 157 |
# Prepare compiler flags. |
| 158 |
append-cxxflags -fPIC -I../../src |
| 159 |
append-fflags -fPIC |
| 160 |
|
| 161 |
# Compile stubs for serial version. |
| 162 |
use mpi || lmp_emake -C src stubs |
| 163 |
|
| 164 |
# Build packages |
| 165 |
emake -C src yes-asphere |
| 166 |
emake -C src yes-body |
| 167 |
emake -C src yes-class2 |
| 168 |
emake -C src yes-colloid |
| 169 |
emake -C src yes-dipole |
| 170 |
emake -C src yes-fld |
| 171 |
#emake -C src yes-gpu |
| 172 |
emake -C src yes-granular |
| 173 |
# Need OpenKIM external dependency. |
| 174 |
#emake -C src yes-kim |
| 175 |
# Need Kokkos external dependency. |
| 176 |
#emake -C src yes-kokkos |
| 177 |
emake -C src yes-kspace |
| 178 |
emake -C src yes-manybody |
| 179 |
emake -C src yes-mc |
| 180 |
lmp_emake -C src yes-meam |
| 181 |
lmp_emake -j1 -C lib/meam -f Makefile.gfortran |
| 182 |
emake -C src yes-misc |
| 183 |
emake -C src yes-molecule |
| 184 |
#emake -C src yes-mpiio |
| 185 |
emake -C src yes-opt |
| 186 |
emake -C src yes-peri |
| 187 |
emake -C src yes-poems |
| 188 |
lmp_emake -C lib/poems -f Makefile.g++ |
| 189 |
emake -C src yes-reax |
| 190 |
lmp_emake -j1 -C lib/reax -f Makefile.gfortran |
| 191 |
emake -C src yes-replica |
| 192 |
emake -C src yes-rigid |
| 193 |
emake -C src yes-shock |
| 194 |
emake -C src yes-snap |
| 195 |
emake -C src yes-srd |
| 196 |
emake -C src yes-voronoi |
| 197 |
emake -C src yes-xtc |
| 198 |
|
| 199 |
emake -C src yes-user-eff |
| 200 |
emake -C src yes-user-fep |
| 201 |
use mpi && emake -C src yes-user-lb |
| 202 |
emake -C src yes-user-phonon |
| 203 |
emake -C src yes-user-sph |
| 204 |
|
| 205 |
if use mpi; then |
| 206 |
emake -C src yes-user-atc |
| 207 |
lmp_emake -C lib/atc -f Makefile.g++ |
| 208 |
fi |
| 209 |
|
| 210 |
if use static-libs; then |
| 211 |
# Build static library. |
| 212 |
lmp_emake -C src makelib |
| 213 |
lmp_emake -C src -f Makefile.lib serial |
| 214 |
fi |
| 215 |
|
| 216 |
# Build shared library. |
| 217 |
lmp_emake -C src makeshlib |
| 218 |
lmp_emake -C src -f Makefile.shlib serial |
| 219 |
|
| 220 |
# Compile main executable. |
| 221 |
lmp_emake -C src serial |
| 222 |
|
| 223 |
# Compile tools. |
| 224 |
emake -C tools binary2txt chain micelle2d data2xmovie |
| 225 |
} |
| 226 |
|
| 227 |
src_install() { |
| 228 |
use static-libs && newlib.a src/liblammps_serial.a liblammps.a |
| 229 |
newlib.so src/liblammps_serial.so liblammps.so.0.0.0 |
| 230 |
dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so |
| 231 |
dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 |
| 232 |
newbin src/lmp_serial lmp |
| 233 |
dobin tools/binary2txt |
| 234 |
# Don't forget to add header files of optional packages as they are added |
| 235 |
# to this ebuild. There may also be .mod files from Fortran based |
| 236 |
# packages. |
| 237 |
insinto "/usr/include/${PN}" |
| 238 |
doins -r src/*.h lib/meam/*.mod |
| 239 |
|
| 240 |
local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" |
| 241 |
insinto "/${LAMMPS_POTENTIALS}" |
| 242 |
doins potentials/* |
| 243 |
echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps |
| 244 |
doenvd 99lammps |
| 245 |
|
| 246 |
if use examples; then |
| 247 |
local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" |
| 248 |
insinto "${LAMMPS_EXAMPLES}" |
| 249 |
doins -r examples/* |
| 250 |
fi |
| 251 |
|
| 252 |
dodoc README |
| 253 |
if use doc; then |
| 254 |
dodoc doc/Manual.pdf |
| 255 |
dohtml -r doc/* |
| 256 |
fi |
| 257 |
} |
| 258 |
|
| 259 |
|
| 260 |
|
| 261 |
1.1 sci-physics/lammps/lammps-20141222.ebuild |
| 262 |
|
| 263 |
file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20141222.ebuild?rev=1.1&view=markup |
| 264 |
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20141222.ebuild?rev=1.1&content-type=text/plain |
| 265 |
|
| 266 |
Index: lammps-20141222.ebuild |
| 267 |
=================================================================== |
| 268 |
# Copyright 1999-2014 Gentoo Foundation |
| 269 |
# Distributed under the terms of the GNU General Public License v2 |
| 270 |
# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20141222.ebuild,v 1.1 2014/12/30 20:47:51 nicolasbock Exp $ |
| 271 |
|
| 272 |
EAPI=5 |
| 273 |
|
| 274 |
inherit eutils flag-o-matic fortran-2 multilib |
| 275 |
|
| 276 |
convert_month() { |
| 277 |
case $1 in |
| 278 |
01) echo Jan |
| 279 |
;; |
| 280 |
02) echo Feb |
| 281 |
;; |
| 282 |
03) echo Mar |
| 283 |
;; |
| 284 |
04) echo Apr |
| 285 |
;; |
| 286 |
05) echo May |
| 287 |
;; |
| 288 |
06) echo Jun |
| 289 |
;; |
| 290 |
07) echo Jul |
| 291 |
;; |
| 292 |
08) echo Aug |
| 293 |
;; |
| 294 |
09) echo Sep |
| 295 |
;; |
| 296 |
10) echo Oct |
| 297 |
;; |
| 298 |
11) echo Nov |
| 299 |
;; |
| 300 |
12) echo Dec |
| 301 |
;; |
| 302 |
*) echo unknown |
| 303 |
;; |
| 304 |
esac |
| 305 |
} |
| 306 |
|
| 307 |
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} |
| 308 |
|
| 309 |
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" |
| 310 |
HOMEPAGE="http://lammps.sandia.gov/" |
| 311 |
SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" |
| 312 |
|
| 313 |
LICENSE="GPL-2" |
| 314 |
SLOT="0" |
| 315 |
KEYWORDS="~amd64 ~x86" |
| 316 |
IUSE="doc examples gzip lammps-memalign mpi static-libs" |
| 317 |
|
| 318 |
DEPEND=" |
| 319 |
mpi? ( |
| 320 |
virtual/blas |
| 321 |
virtual/lapack |
| 322 |
virtual/mpi |
| 323 |
) |
| 324 |
sci-libs/voro++ |
| 325 |
" |
| 326 |
RDEPEND="${DEPEND}" |
| 327 |
|
| 328 |
S="${WORKDIR}/${MY_P}" |
| 329 |
|
| 330 |
lmp_emake() { |
| 331 |
local LAMMPS_INCLUDEFLAGS |
| 332 |
LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" |
| 333 |
LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" |
| 334 |
|
| 335 |
# The lammps makefile uses CC to indicate the C++ compiler. |
| 336 |
emake \ |
| 337 |
ARCHIVE=$(tc-getAR) \ |
| 338 |
CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
| 339 |
F90=$(usex mpi "mpif90" "$(tc-getFC)") \ |
| 340 |
LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
| 341 |
CCFLAGS="${CXXFLAGS}" \ |
| 342 |
F90FLAGS="${FCFLAGS}" \ |
| 343 |
LINKFLAGS="${LDFLAGS}" \ |
| 344 |
LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ |
| 345 |
MPI_INC=$(usex mpi '' "-I../STUBS") \ |
| 346 |
MPI_PATH=$(usex mpi '' '-L../STUBS') \ |
| 347 |
MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ |
| 348 |
user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ |
| 349 |
"$@" |
| 350 |
} |
| 351 |
|
| 352 |
src_prepare() { |
| 353 |
# Fix inconsistent use of SHFLAGS. |
| 354 |
sed -i \ |
| 355 |
-e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ |
| 356 |
-e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ |
| 357 |
src/VORONOI/Makefile.lammps || die |
| 358 |
|
| 359 |
# Fix missing .so name. |
| 360 |
sed -i \ |
| 361 |
-e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ |
| 362 |
src/MAKE/Makefile.serial || die |
| 363 |
|
| 364 |
# Fix makefile in tools. |
| 365 |
sed -i \ |
| 366 |
-e 's:g++:$(CXX) $(CXXFLAGS):' \ |
| 367 |
-e 's:gcc:$(CC) $(CCFLAGS):' \ |
| 368 |
-e 's:ifort:$(FC) $(FCFLAGS):' \ |
| 369 |
tools/Makefile || die |
| 370 |
} |
| 371 |
|
| 372 |
src_compile() { |
| 373 |
# Prepare compiler flags. |
| 374 |
append-cxxflags -fPIC -I../../src |
| 375 |
append-fflags -fPIC |
| 376 |
|
| 377 |
# Compile stubs for serial version. |
| 378 |
use mpi || lmp_emake -C src stubs |
| 379 |
|
| 380 |
# Build packages |
| 381 |
emake -C src yes-asphere |
| 382 |
emake -C src yes-body |
| 383 |
emake -C src yes-class2 |
| 384 |
emake -C src yes-colloid |
| 385 |
emake -C src yes-dipole |
| 386 |
emake -C src yes-fld |
| 387 |
#emake -C src yes-gpu |
| 388 |
emake -C src yes-granular |
| 389 |
# Need OpenKIM external dependency. |
| 390 |
#emake -C src yes-kim |
| 391 |
# Need Kokkos external dependency. |
| 392 |
#emake -C src yes-kokkos |
| 393 |
emake -C src yes-kspace |
| 394 |
emake -C src yes-manybody |
| 395 |
emake -C src yes-mc |
| 396 |
lmp_emake -C src yes-meam |
| 397 |
lmp_emake -j1 -C lib/meam -f Makefile.gfortran |
| 398 |
emake -C src yes-misc |
| 399 |
emake -C src yes-molecule |
| 400 |
#emake -C src yes-mpiio |
| 401 |
emake -C src yes-opt |
| 402 |
emake -C src yes-peri |
| 403 |
emake -C src yes-poems |
| 404 |
lmp_emake -C lib/poems -f Makefile.g++ |
| 405 |
emake -C src yes-reax |
| 406 |
lmp_emake -j1 -C lib/reax -f Makefile.gfortran |
| 407 |
emake -C src yes-replica |
| 408 |
emake -C src yes-rigid |
| 409 |
emake -C src yes-shock |
| 410 |
emake -C src yes-snap |
| 411 |
emake -C src yes-srd |
| 412 |
emake -C src yes-voronoi |
| 413 |
emake -C src yes-xtc |
| 414 |
|
| 415 |
emake -C src yes-user-eff |
| 416 |
emake -C src yes-user-fep |
| 417 |
use mpi && emake -C src yes-user-lb |
| 418 |
emake -C src yes-user-phonon |
| 419 |
emake -C src yes-user-sph |
| 420 |
|
| 421 |
if use mpi; then |
| 422 |
emake -C src yes-user-atc |
| 423 |
lmp_emake -C lib/atc -f Makefile.g++ |
| 424 |
fi |
| 425 |
|
| 426 |
if use static-libs; then |
| 427 |
# Build static library. |
| 428 |
lmp_emake -C src makelib |
| 429 |
lmp_emake -C src -f Makefile.lib serial |
| 430 |
fi |
| 431 |
|
| 432 |
# Build shared library. |
| 433 |
lmp_emake -C src makeshlib |
| 434 |
lmp_emake -C src -f Makefile.shlib serial |
| 435 |
|
| 436 |
# Compile main executable. |
| 437 |
lmp_emake -C src serial |
| 438 |
|
| 439 |
# Compile tools. |
| 440 |
emake -C tools binary2txt chain micelle2d data2xmovie |
| 441 |
} |
| 442 |
|
| 443 |
src_install() { |
| 444 |
use static-libs && newlib.a src/liblammps_serial.a liblammps.a |
| 445 |
newlib.so src/liblammps_serial.so liblammps.so.0.0.0 |
| 446 |
dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so |
| 447 |
dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 |
| 448 |
newbin src/lmp_serial lmp |
| 449 |
dobin tools/binary2txt |
| 450 |
# Don't forget to add header files of optional packages as they are added |
| 451 |
# to this ebuild. There may also be .mod files from Fortran based |
| 452 |
# packages. |
| 453 |
insinto "/usr/include/${PN}" |
| 454 |
doins -r src/*.h lib/meam/*.mod |
| 455 |
|
| 456 |
local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" |
| 457 |
insinto "/${LAMMPS_POTENTIALS}" |
| 458 |
doins potentials/* |
| 459 |
echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps |
| 460 |
doenvd 99lammps |
| 461 |
|
| 462 |
if use examples; then |
| 463 |
local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" |
| 464 |
insinto "${LAMMPS_EXAMPLES}" |
| 465 |
doins -r examples/* |
| 466 |
fi |
| 467 |
|
| 468 |
dodoc README |
| 469 |
if use doc; then |
| 470 |
dodoc doc/Manual.pdf |
| 471 |
dohtml -r doc/* |
| 472 |
fi |
| 473 |
} |
| 474 |
|
| 475 |
|
| 476 |
|
| 477 |
1.1 sci-physics/lammps/lammps-20141219.ebuild |
| 478 |
|
| 479 |
file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20141219.ebuild?rev=1.1&view=markup |
| 480 |
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20141219.ebuild?rev=1.1&content-type=text/plain |
| 481 |
|
| 482 |
Index: lammps-20141219.ebuild |
| 483 |
=================================================================== |
| 484 |
# Copyright 1999-2014 Gentoo Foundation |
| 485 |
# Distributed under the terms of the GNU General Public License v2 |
| 486 |
# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20141219.ebuild,v 1.1 2014/12/30 20:47:51 nicolasbock Exp $ |
| 487 |
|
| 488 |
EAPI=5 |
| 489 |
|
| 490 |
inherit eutils flag-o-matic fortran-2 multilib |
| 491 |
|
| 492 |
convert_month() { |
| 493 |
case $1 in |
| 494 |
01) echo Jan |
| 495 |
;; |
| 496 |
02) echo Feb |
| 497 |
;; |
| 498 |
03) echo Mar |
| 499 |
;; |
| 500 |
04) echo Apr |
| 501 |
;; |
| 502 |
05) echo May |
| 503 |
;; |
| 504 |
06) echo Jun |
| 505 |
;; |
| 506 |
07) echo Jul |
| 507 |
;; |
| 508 |
08) echo Aug |
| 509 |
;; |
| 510 |
09) echo Sep |
| 511 |
;; |
| 512 |
10) echo Oct |
| 513 |
;; |
| 514 |
11) echo Nov |
| 515 |
;; |
| 516 |
12) echo Dec |
| 517 |
;; |
| 518 |
*) echo unknown |
| 519 |
;; |
| 520 |
esac |
| 521 |
} |
| 522 |
|
| 523 |
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} |
| 524 |
|
| 525 |
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" |
| 526 |
HOMEPAGE="http://lammps.sandia.gov/" |
| 527 |
SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" |
| 528 |
|
| 529 |
LICENSE="GPL-2" |
| 530 |
SLOT="0" |
| 531 |
KEYWORDS="~amd64 ~x86" |
| 532 |
IUSE="doc examples gzip lammps-memalign mpi static-libs" |
| 533 |
|
| 534 |
DEPEND=" |
| 535 |
mpi? ( |
| 536 |
virtual/blas |
| 537 |
virtual/lapack |
| 538 |
virtual/mpi |
| 539 |
) |
| 540 |
sci-libs/voro++ |
| 541 |
" |
| 542 |
RDEPEND="${DEPEND}" |
| 543 |
|
| 544 |
S="${WORKDIR}/${MY_P}" |
| 545 |
|
| 546 |
lmp_emake() { |
| 547 |
local LAMMPS_INCLUDEFLAGS |
| 548 |
LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" |
| 549 |
LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" |
| 550 |
|
| 551 |
# The lammps makefile uses CC to indicate the C++ compiler. |
| 552 |
emake \ |
| 553 |
ARCHIVE=$(tc-getAR) \ |
| 554 |
CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
| 555 |
F90=$(usex mpi "mpif90" "$(tc-getFC)") \ |
| 556 |
LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ |
| 557 |
CCFLAGS="${CXXFLAGS}" \ |
| 558 |
F90FLAGS="${FCFLAGS}" \ |
| 559 |
LINKFLAGS="${LDFLAGS}" \ |
| 560 |
LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ |
| 561 |
MPI_INC=$(usex mpi '' "-I../STUBS") \ |
| 562 |
MPI_PATH=$(usex mpi '' '-L../STUBS') \ |
| 563 |
MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ |
| 564 |
user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\ |
| 565 |
"$@" |
| 566 |
} |
| 567 |
|
| 568 |
src_prepare() { |
| 569 |
# Fix inconsistent use of SHFLAGS. |
| 570 |
sed -i \ |
| 571 |
-e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \ |
| 572 |
-e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \ |
| 573 |
src/VORONOI/Makefile.lammps || die |
| 574 |
|
| 575 |
# Fix missing .so name. |
| 576 |
sed -i \ |
| 577 |
-e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \ |
| 578 |
src/MAKE/Makefile.serial || die |
| 579 |
|
| 580 |
# Fix makefile in tools. |
| 581 |
sed -i \ |
| 582 |
-e 's:g++:$(CXX) $(CXXFLAGS):' \ |
| 583 |
-e 's:gcc:$(CC) $(CCFLAGS):' \ |
| 584 |
-e 's:ifort:$(FC) $(FCFLAGS):' \ |
| 585 |
tools/Makefile || die |
| 586 |
} |
| 587 |
|
| 588 |
src_compile() { |
| 589 |
# Prepare compiler flags. |
| 590 |
append-cxxflags -fPIC -I../../src |
| 591 |
append-fflags -fPIC |
| 592 |
|
| 593 |
# Compile stubs for serial version. |
| 594 |
use mpi || lmp_emake -C src stubs |
| 595 |
|
| 596 |
# Build packages |
| 597 |
emake -C src yes-asphere |
| 598 |
emake -C src yes-body |
| 599 |
emake -C src yes-class2 |
| 600 |
emake -C src yes-colloid |
| 601 |
emake -C src yes-dipole |
| 602 |
emake -C src yes-fld |
| 603 |
#emake -C src yes-gpu |
| 604 |
emake -C src yes-granular |
| 605 |
# Need OpenKIM external dependency. |
| 606 |
#emake -C src yes-kim |
| 607 |
# Need Kokkos external dependency. |
| 608 |
#emake -C src yes-kokkos |
| 609 |
emake -C src yes-kspace |
| 610 |
emake -C src yes-manybody |
| 611 |
emake -C src yes-mc |
| 612 |
lmp_emake -C src yes-meam |
| 613 |
lmp_emake -j1 -C lib/meam -f Makefile.gfortran |
| 614 |
emake -C src yes-misc |
| 615 |
emake -C src yes-molecule |
| 616 |
#emake -C src yes-mpiio |
| 617 |
emake -C src yes-opt |
| 618 |
emake -C src yes-peri |
| 619 |
emake -C src yes-poems |
| 620 |
lmp_emake -C lib/poems -f Makefile.g++ |
| 621 |
emake -C src yes-reax |
| 622 |
lmp_emake -j1 -C lib/reax -f Makefile.gfortran |
| 623 |
emake -C src yes-replica |
| 624 |
emake -C src yes-rigid |
| 625 |
emake -C src yes-shock |
| 626 |
emake -C src yes-snap |
| 627 |
emake -C src yes-srd |
| 628 |
emake -C src yes-voronoi |
| 629 |
emake -C src yes-xtc |
| 630 |
|
| 631 |
emake -C src yes-user-eff |
| 632 |
emake -C src yes-user-fep |
| 633 |
use mpi && emake -C src yes-user-lb |
| 634 |
emake -C src yes-user-phonon |
| 635 |
emake -C src yes-user-sph |
| 636 |
|
| 637 |
if use mpi; then |
| 638 |
emake -C src yes-user-atc |
| 639 |
lmp_emake -C lib/atc -f Makefile.g++ |
| 640 |
fi |
| 641 |
|
| 642 |
if use static-libs; then |
| 643 |
# Build static library. |
| 644 |
lmp_emake -C src makelib |
| 645 |
lmp_emake -C src -f Makefile.lib serial |
| 646 |
fi |
| 647 |
|
| 648 |
# Build shared library. |
| 649 |
lmp_emake -C src makeshlib |
| 650 |
lmp_emake -C src -f Makefile.shlib serial |
| 651 |
|
| 652 |
# Compile main executable. |
| 653 |
lmp_emake -C src serial |
| 654 |
|
| 655 |
# Compile tools. |
| 656 |
emake -C tools binary2txt chain micelle2d data2xmovie |
| 657 |
} |
| 658 |
|
| 659 |
src_install() { |
| 660 |
use static-libs && newlib.a src/liblammps_serial.a liblammps.a |
| 661 |
newlib.so src/liblammps_serial.so liblammps.so.0.0.0 |
| 662 |
dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so |
| 663 |
dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0 |
| 664 |
newbin src/lmp_serial lmp |
| 665 |
dobin tools/binary2txt |
| 666 |
# Don't forget to add header files of optional packages as they are added |
| 667 |
# to this ebuild. There may also be .mod files from Fortran based |
| 668 |
# packages. |
| 669 |
insinto "/usr/include/${PN}" |
| 670 |
doins -r src/*.h lib/meam/*.mod |
| 671 |
|
| 672 |
local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" |
| 673 |
insinto "/${LAMMPS_POTENTIALS}" |
| 674 |
doins potentials/* |
| 675 |
echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps |
| 676 |
doenvd 99lammps |
| 677 |
|
| 678 |
if use examples; then |
| 679 |
local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" |
| 680 |
insinto "${LAMMPS_EXAMPLES}" |
| 681 |
doins -r examples/* |
| 682 |
fi |
| 683 |
|
| 684 |
dodoc README |
| 685 |
if use doc; then |
| 686 |
dodoc doc/Manual.pdf |
| 687 |
dohtml -r doc/* |
| 688 |
fi |
| 689 |
} |
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