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: metadata.xml lammps-20140214-r2.ebuild ChangeLog
Date: Thu, 27 Feb 2014 03:47:38
Message-Id: 20140227034731.54BCF2004B@flycatcher.gentoo.org
1 nicolasbock 14/02/27 03:47:31
2
3 Modified: metadata.xml ChangeLog
4 Added: lammps-20140214-r2.ebuild
5 Log:
6 sci-physics/lammps-20140214-r2: Add Voronoi package.
7
8 (Portage version: 2.2.7/cvs/Linux x86_64, signed Manifest commit with key AC91CA52)
9
10 Revision Changes Path
11 1.5 sci-physics/lammps/metadata.xml
12
13 file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/metadata.xml?rev=1.5&view=markup
14 plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/metadata.xml?rev=1.5&content-type=text/plain
15 diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/metadata.xml?r1=1.4&r2=1.5
16
17 Index: metadata.xml
18 ===================================================================
19 RCS file: /var/cvsroot/gentoo-x86/sci-physics/lammps/metadata.xml,v
20 retrieving revision 1.4
21 retrieving revision 1.5
22 diff -u -r1.4 -r1.5
23 --- metadata.xml 18 Feb 2014 13:02:44 -0000 1.4
24 +++ metadata.xml 27 Feb 2014 03:47:31 -0000 1.5
25 @@ -26,6 +26,7 @@
26 <flag name="lammps-package-meam">modified EAM potential</flag>
27 <flag name="lammps-package-reax">ReaxFF potential</flag>
28 <flag name="lammps-package-rigid">rigid bodies</flag>
29 + <flag name="lammps-package-voronoi">Voronoi tesselations</flag>
30 </use>
31 <herd>sci-physics</herd>
32 <maintainer>
33
34
35
36 1.20 sci-physics/lammps/ChangeLog
37
38 file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?rev=1.20&view=markup
39 plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?rev=1.20&content-type=text/plain
40 diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/ChangeLog?r1=1.19&r2=1.20
41
42 Index: ChangeLog
43 ===================================================================
44 RCS file: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v
45 retrieving revision 1.19
46 retrieving revision 1.20
47 diff -u -r1.19 -r1.20
48 --- ChangeLog 19 Feb 2014 22:49:50 -0000 1.19
49 +++ ChangeLog 27 Feb 2014 03:47:31 -0000 1.20
50 @@ -1,6 +1,12 @@
51 # ChangeLog for sci-physics/lammps
52 # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
53 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.19 2014/02/19 22:49:50 nicolasbock Exp $
54 +# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/ChangeLog,v 1.20 2014/02/27 03:47:31 nicolasbock Exp $
55 +
56 +*lammps-20140214-r2 (27 Feb 2014)
57 +
58 + 27 Feb 2014; Nicolas Bock <nicolasbock@g.o> +lammps-20140214-r2.ebuild,
59 + metadata.xml:
60 + sci-physics/lammps-20140214-r2: Add Voronoi package.
61
62 19 Feb 2014; Nicolas Bock <nicolasbock@g.o> lammps-20140214-r1.ebuild:
63 sci-physics/lammps-20140214-r1: Fixed some issues: * Fixed file collision of
64
65
66
67 1.1 sci-physics/lammps/lammps-20140214-r2.ebuild
68
69 file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20140214-r2.ebuild?rev=1.1&view=markup
70 plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-physics/lammps/lammps-20140214-r2.ebuild?rev=1.1&content-type=text/plain
71
72 Index: lammps-20140214-r2.ebuild
73 ===================================================================
74 # Copyright 1999-2014 Gentoo Foundation
75 # Distributed under the terms of the GNU General Public License v2
76 # $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140214-r2.ebuild,v 1.1 2014/02/27 03:47:31 nicolasbock Exp $
77
78 EAPI=5
79
80 inherit eutils fortran-2 multilib
81
82 convert_month() {
83 case $1 in
84 01) echo Jan
85 ;;
86 02) echo Feb
87 ;;
88 03) echo Mar
89 ;;
90 04) echo Apr
91 ;;
92 05) echo May
93 ;;
94 06) echo Jun
95 ;;
96 07) echo Jul
97 ;;
98 08) echo Aug
99 ;;
100 09) echo Sep
101 ;;
102 10) echo Oct
103 ;;
104 11) echo Nov
105 ;;
106 12) echo Dec
107 ;;
108 *) echo unknown
109 ;;
110 esac
111 }
112
113 MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
114
115 DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
116 HOMEPAGE="http://lammps.sandia.gov/"
117 SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
118
119 LICENSE="GPL-2"
120 SLOT="0"
121 KEYWORDS="~amd64"
122 IUSE="doc examples gzip lammps-memalign lammps-package-voronoi mpi static-libs"
123
124 DEPEND="
125 mpi? ( virtual/mpi )
126 lammps-package-voronoi? ( sci-libs/voro++ )
127 "
128 RDEPEND="${DEPEND}"
129
130 S="${WORKDIR}/${MY_P}"
131
132 lmp_emake() {
133 local LAMMPS_INCLUDEFLAGS
134 LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
135 LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
136
137 # The lammps makefile uses CC to indicate the C++ compiler.
138 emake \
139 ARCHIVE=$(tc-getAR) \
140 CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
141 F90=$(usex mpi "mpif90" "$(tc-getFC)") \
142 LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
143 CCFLAGS="${CXXFLAGS}" \
144 F90FLAGS="${FCFLAGS}" \
145 LINKFLAGS="${LDFLAGS}" \
146 LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
147 MPI_INC=$(usex mpi '' "-I../STUBS") \
148 MPI_PATH=$(usex mpi '' '-L../STUBS') \
149 MPI_LIB=$(usex mpi '' '-lmpi_stubs') \
150 "$@"
151 }
152
153 src_prepare() {
154 # Fix inconsistent use of SHFLAGS.
155 sed -i -e 's:$(CCFLAGS):$(CCFLAGS) -fPIC:' src/STUBS/Makefile || die
156 sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/meam/Makefile.gfortran || die
157 sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/reax/Makefile.gfortran || die
158 sed -i \
159 -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
160 -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
161 src/VORONOI/Makefile.lammps || die
162
163 # Fix missing .so name.
164 sed -i \
165 -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
166 src/MAKE/Makefile.serial || die
167
168 # Fix makefile in tools.
169 sed -i \
170 -e 's:g++:$(CXX) $(CXXFLAGS):' \
171 -e 's:gcc:$(CC) $(CCFLAGS):' \
172 -e 's:ifort:$(FC) $(FCFLAGS):' \
173 tools/Makefile || die
174 }
175
176 src_compile() {
177 # Compile stubs for serial version.
178 use mpi || lmp_emake -C src stubs
179
180 # Build packages
181 emake -C src yes-dipole
182 emake -C src yes-kspace
183 emake -C src yes-mc
184 lmp_emake -C src yes-meam
185 lmp_emake -j1 -C lib/meam -f Makefile.gfortran
186 emake -C src yes-reax
187 emake -C src yes-replica
188 lmp_emake -j1 -C lib/reax -f Makefile.gfortran
189 emake -C src yes-rigid
190 emake -C src yes-shock
191 emake -C src yes-xtc
192 use lammps-package-voronoi && emake -C src yes-voronoi
193
194 if use static-libs; then
195 # Build static library.
196 lmp_emake -C src makelib
197 lmp_emake -C src -f Makefile.lib serial
198 fi
199
200 # Build shared library.
201 lmp_emake -C src makeshlib
202 lmp_emake -C src -f Makefile.shlib serial
203
204 # Compile main executable.
205 lmp_emake -C src serial
206
207 # Compile tools.
208 emake -C tools binary2txt
209 }
210
211 src_install() {
212 use static-libs && newlib.a src/liblammps_serial.a liblammps.a
213 newlib.so src/liblammps_serial.so liblammps.so.0.0.0
214 dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
215 dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
216 newbin src/lmp_serial lmp
217 dobin tools/binary2txt
218 # Don't forget to add header files of optional packages as they are added
219 # to this ebuild. There may also be .mod files from Fortran based
220 # packages.
221 insinto "/usr/include/${PN}"
222 doins -r src/*.h lib/meam/*.mod
223
224 local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
225 insinto "/${LAMMPS_POTENTIALS}"
226 doins potentials/*
227 echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
228 doenvd 99lammps
229
230 if use examples; then
231 local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
232 insinto "${LAMMPS_EXAMPLES}"
233 doins -r examples/*
234 fi
235
236 dodoc README
237 if use doc; then
238 dodoc doc/Manual.pdf
239 dohtml -r doc/*
240 fi
241 }
Report Message
Find on MARC Find on Google Groups