blob: 891771053e3617ea7dbbe4634d0ece22bb1fef2e (
plain)
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
|
# Maintainer: fromtheeast710 <theeast710@proton.me>
# Contributor: physkets <physkets // at // tutanota dot com>
# Contributor: xpt <user.xpt@gmail.com>
# Contributor: yuhldr <yuhldr@qq.com>
pkgname=lammps
pkgver=20240829
_pkgver="stable_29Aug2024_update1"
pkgrel=1
pkgdesc="Public development project of the LAMMPS MD software package"
url="https://lammps.org"
arch=('x86_64')
license=('GPL')
depends=('fftw' 'openmpi' 'ffmpeg' 'libpng' 'python' 'qt6-charts')
makedepends=('cmake>=3.1' 'python-pip' 'python-build')
conflicts=('lammps-git')
provides=('lammps')
source=("https://github.com/${pkgname}/${pkgname}/archive/refs/tags/${_pkgver}.tar.gz")
sha256sums=('3aea41869aa2fb8120fc4814cab645686f969e2eb7c66aa5587e500597d482dc')
optdepends=('clang' 'python' 'python-mpi4py')
prepare() {
cd "${pkgname}-${_pkgver}"
rm -rf build
mkdir -p build
}
build() {
cd ${pkgname}-${_pkgver}/build
cmake \
-D PKG_MOLECULE=on \
-D PKG_PYTHON=on \
-D PKG_PHONON=on \
-D PKG_KSPACE=on \
-D PKG_MANYBODY=on \
-D LAMMPS_EXCEPTIONS=on \
-D BUILD_LIB=on \
-D BUILD_SHARED_LIBS=on \
-D BUILD_LAMMPS_GUI=on \
-D CMAKE_BUILD_TYPE=Release \
-D CMAKE_INSTALL_PREFIX="/usr" \
-D CMAKE_INSTALL_LIBDIR="lib" \
-D CMAKE_INSTALL_LIBEXECDIR="/usr/lib" \
../cmake
cmake --build . -j $(($(nproc) - 6))
cd ../tools/phonon/
cmake -S . -B build
cmake --build build
# python lib
cd ../../python/
python -m build
}
package() {
cd ${pkgname}-${_pkgver}/build
make DESTDIR="${pkgdir}" install
mkdir -p "${pkgdir}/usr/share/examples/lammps"
cp -r "../examples/." "${pkgdir}/usr/share/examples/lammps/"
cp -r "../python/examples" "${pkgdir}/usr/share/examples/lammps/python/more"
find "${pkgdir}/usr/share/examples/lammps/" -type f -exec chmod 644 '{}' +
install -Dm644 "../tools/vim/lammps.vim" "${pkgdir}/usr/share/vim/vimfiles/syntax/lammps.vim"
install -Dm644 "../tools/vim/filetype.vim" "${pkgdir}/usr/share/vim/vimfiles/ftdetect/lammps.vim"
# install -Dm644 "../tools/kate/lammps.xml" "${pkgdir}/usr/share/katepart5/syntax/lammps.xml"
install -Dm755 "../tools/phonon/build/phana" "${pkgdir}/usr/bin/phana"
# python lib
PIP_CONFIG_FILE=/dev/null pip install --isolated --root="$pkgdir" --ignore-installed --no-deps ../python/dist/*.whl
rm ${pkgdir}/usr/lib/ld-linux-x86-64.so.2
rm ${pkgdir}/usr/lib/libEGL.so.1
rm ${pkgdir}/usr/lib/libEGL.so.1.1.0
rm ${pkgdir}/usr/lib/libGLX.so.0
rm ${pkgdir}/usr/lib/libGLX.so.0.0.0
rm ${pkgdir}/usr/lib/libGLdispatch.so.0
rm ${pkgdir}/usr/lib/libGLdispatch.so.0.0.0
rm ${pkgdir}/usr/lib/libOpenGL.so.0
rm ${pkgdir}/usr/lib/libOpenGL.so.0.0.0
rm ${pkgdir}/usr/lib/libQt6Charts.so.6
rm ${pkgdir}/usr/lib/libQt6Charts.so.6.8.1
rm ${pkgdir}/usr/lib/libQt6Core.so.6
rm ${pkgdir}/usr/lib/libQt6Core.so.6.8.1
rm ${pkgdir}/usr/lib/libQt6DBus.so.6
rm ${pkgdir}/usr/lib/libQt6DBus.so.6.8.1
rm ${pkgdir}/usr/lib/libQt6Gui.so.6
rm ${pkgdir}/usr/lib/libQt6Gui.so.6.8.1
rm ${pkgdir}/usr/lib/libQt6OpenGL.so.6
rm ${pkgdir}/usr/lib/libQt6OpenGL.so.6.8.1
rm ${pkgdir}/usr/lib/libQt6OpenGLWidgets.so.6
rm ${pkgdir}/usr/lib/libQt6OpenGLWidgets.so.6.8.1
rm ${pkgdir}/usr/lib/libQt6Widgets.so.6
rm ${pkgdir}/usr/lib/libQt6Widgets.so.6.8.1
rm ${pkgdir}/usr/lib/libX11.so.6
rm ${pkgdir}/usr/lib/libX11.so.6.4.0
rm ${pkgdir}/usr/lib/libXau.so.6
rm ${pkgdir}/usr/lib/libXau.so.6.0.0
rm ${pkgdir}/usr/lib/libXdmcp.so.6
rm ${pkgdir}/usr/lib/libXdmcp.so.6.0.0
rm ${pkgdir}/usr/lib/libb2.so.1
rm ${pkgdir}/usr/lib/libb2.so.1.0.4
rm ${pkgdir}/usr/lib/libbrotlicommon.so.1
rm ${pkgdir}/usr/lib/libbrotlicommon.so.1.1.0
rm ${pkgdir}/usr/lib/libbrotlidec.so.1
rm ${pkgdir}/usr/lib/libbrotlidec.so.1.1.0
rm ${pkgdir}/usr/lib/libbz2.so.1.0
rm ${pkgdir}/usr/lib/libbz2.so.1.0.8
rm ${pkgdir}/usr/lib/libc.so.6
rm ${pkgdir}/usr/lib/libcap.so.2
rm ${pkgdir}/usr/lib/libcap.so.2.71
rm ${pkgdir}/usr/lib/libdbus-1.so.3
rm ${pkgdir}/usr/lib/libdbus-1.so.3.32.4
rm ${pkgdir}/usr/lib/libdouble-conversion.so.3
rm ${pkgdir}/usr/lib/libdouble-conversion.so.3.3.0
rm ${pkgdir}/usr/lib/libevent_core-2.1.so.7
rm ${pkgdir}/usr/lib/libevent_core-2.1.so.7.0.1
rm ${pkgdir}/usr/lib/libevent_pthreads-2.1.so.7
rm ${pkgdir}/usr/lib/libevent_pthreads-2.1.so.7.0.1
rm ${pkgdir}/usr/lib/libexpat.so.1
rm ${pkgdir}/usr/lib/libexpat.so.1.10.0
rm ${pkgdir}/usr/lib/libfabric.so.1
rm ${pkgdir}/usr/lib/libfabric.so.1.25.0
rm ${pkgdir}/usr/lib/libfftw3.so.3
rm ${pkgdir}/usr/lib/libfftw3.so.3.6.10
rm ${pkgdir}/usr/lib/libfftw3_omp.so.3
rm ${pkgdir}/usr/lib/libfftw3_omp.so.3.6.10
rm ${pkgdir}/usr/lib/libfontconfig.so.1
rm ${pkgdir}/usr/lib/libfontconfig.so.1.14.0
rm ${pkgdir}/usr/lib/libfreetype.so.6
rm ${pkgdir}/usr/lib/libfreetype.so.6.20.2
rm ${pkgdir}/usr/lib/libgcc_s.so.1
rm ${pkgdir}/usr/lib/libglib-2.0.so.0
rm ${pkgdir}/usr/lib/libglib-2.0.so.0.8200.2
rm ${pkgdir}/usr/lib/libgomp.so.1
rm ${pkgdir}/usr/lib/libgomp.so.1.0.0
rm ${pkgdir}/usr/lib/libgraphite2.so.3
rm ${pkgdir}/usr/lib/libgraphite2.so.3.2.1
rm ${pkgdir}/usr/lib/libharfbuzz.so.0
rm ${pkgdir}/usr/lib/libharfbuzz.so.0.61010.0
rm ${pkgdir}/usr/lib/libhwloc.so.15
rm ${pkgdir}/usr/lib/libhwloc.so.15.8.1
rm ${pkgdir}/usr/lib/libicudata.so.75
rm ${pkgdir}/usr/lib/libicudata.so.75.1
rm ${pkgdir}/usr/lib/libicui18n.so.75
rm ${pkgdir}/usr/lib/libicui18n.so.75.1
rm ${pkgdir}/usr/lib/libicuuc.so.75
rm ${pkgdir}/usr/lib/libicuuc.so.75.1
rm ${pkgdir}/usr/lib/libjpeg.so.8
rm ${pkgdir}/usr/lib/libjpeg.so.8.3.2
rm ${pkgdir}/usr/lib/libm.so.6
rm ${pkgdir}/usr/lib/libmd4c.so.0
rm ${pkgdir}/usr/lib/libmd4c.so.0.5.2
rm ${pkgdir}/usr/lib/libmpi.so.40
rm ${pkgdir}/usr/lib/libmpi.so.40.40.5
rm ${pkgdir}/usr/lib/libnuma.so.1
rm ${pkgdir}/usr/lib/libnuma.so.1.0.0
rm ${pkgdir}/usr/lib/libopen-pal.so.80
rm ${pkgdir}/usr/lib/libopen-pal.so.80.0.4
rm ${pkgdir}/usr/lib/libpcre2-16.so.0
rm ${pkgdir}/usr/lib/libpcre2-16.so.0.13.0
rm ${pkgdir}/usr/lib/libpcre2-8.so.0
rm ${pkgdir}/usr/lib/libpcre2-8.so.0.13.0
rm ${pkgdir}/usr/lib/libpmix.so.2
rm ${pkgdir}/usr/lib/libpmix.so.2.13.4
rm ${pkgdir}/usr/lib/libpng16.so.16
rm ${pkgdir}/usr/lib/libpng16.so.16.44.0
rm ${pkgdir}/usr/lib/libpython3.12.so.1.0
rm ${pkgdir}/usr/lib/libsframe.so.1
rm ${pkgdir}/usr/lib/libsframe.so.1.0.0
rm ${pkgdir}/usr/lib/libstdc++.so.6
rm ${pkgdir}/usr/lib/libstdc++.so.6.0.33
rm ${pkgdir}/usr/lib/libsystemd.so.0
rm ${pkgdir}/usr/lib/libsystemd.so.0.39.0
rm ${pkgdir}/usr/lib/libucm.so.0
rm ${pkgdir}/usr/lib/libucm.so.0.0.0
rm ${pkgdir}/usr/lib/libucp.so.0
rm ${pkgdir}/usr/lib/libucp.so.0.0.0
rm ${pkgdir}/usr/lib/libucs.so.0
rm ${pkgdir}/usr/lib/libucs.so.0.0.0
rm ${pkgdir}/usr/lib/libuct.so.0
rm ${pkgdir}/usr/lib/libuct.so.0.0.0
rm ${pkgdir}/usr/lib/libudev.so.1
rm ${pkgdir}/usr/lib/libudev.so.1.7.9
rm ${pkgdir}/usr/lib/libxcb.so.1
rm ${pkgdir}/usr/lib/libxcb.so.1.1.0
rm ${pkgdir}/usr/lib/libxkbcommon.so.0
rm ${pkgdir}/usr/lib/libxkbcommon.so.0.0.0
rm ${pkgdir}/usr/lib/libz.so.1
rm ${pkgdir}/usr/lib/libz.so.1.3.1
rm ${pkgdir}/usr/lib/libzstd.so.1
rm ${pkgdir}/usr/lib/libzstd.so.1.5.6
}
|