Gentoo Archives: gentoo-commits

From: Pacho Ramos <pacho@g.o>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/vmd/files/, sci-chemistry/vmd/
Date: Sun, 02 May 2021 19:22:33
Message-Id: 1619983343.8c9499c1d811547d4d69f60d5b78ae7edacdd922.pacho@gentoo
1 commit: 8c9499c1d811547d4d69f60d5b78ae7edacdd922
2 Author: Pacho Ramos <pacho <AT> gentoo <DOT> org>
3 AuthorDate: Sun May 2 19:22:03 2021 +0000
4 Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org>
5 CommitDate: Sun May 2 19:22:23 2021 +0000
6 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=8c9499c1
7
8 sci-chemistry/vmd: Drop old
9
10 Package-Manager: Portage-3.0.18, Repoman-3.0.3
11 Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org>
12
13 sci-chemistry/vmd/Manifest | 3 -
14 .../vmd/files/vmd-1.9.4-gentoo-paths.patch | 276 --------------------
15 sci-chemistry/vmd/files/vmd-1.9.4-tmpdir.patch | 11 -
16 sci-chemistry/vmd/vmd-1.9.4_alpha43.ebuild | 277 ---------------------
17 4 files changed, 567 deletions(-)
18
19 diff --git a/sci-chemistry/vmd/Manifest b/sci-chemistry/vmd/Manifest
20 index a94593a65fc..dbb4249c928 100644
21 --- a/sci-chemistry/vmd/Manifest
22 +++ b/sci-chemistry/vmd/Manifest
23 @@ -1,5 +1,2 @@
24 -DIST vmd-1.9.3-gentoo-patches.tar.xz 14804 BLAKE2B 64e5df40ed88c23c924d32636495f0383590f91dbb714e64c73551072bb50d72b4e5f188fb2da58d32e84b4bc96ff0297d7ff1bf02b0481198901c4e12e4ee59 SHA512 5d506d4df5ca4a3edb33d77aeeb440fcb4750a250c77103b99f385f356eb9d71d954173b981d3a50f7a714cfc872587e5040868904e50fa1f6fd69d7e4d9f1b1
25 -DIST vmd-1.9.4-gentoo-plugins.patch 24618 BLAKE2B 6fbcf2e3bb59765e0980a5ed46f02e29d7b72a313865849c15891f2398d2aaf9afe6069f993a61257572d031556ce523c622858e29611ca6795be6030f4bb186 SHA512 9b8675811992d6392e9ec49cdcbcfd0da99dce1e164be4f8bf9bd07e0582b6b1e1d25f3e90fbc91cad7f94984bd091e644713c136628d0e4cc60e782a855fb63
26 DIST vmd-1.9.4_alpha51-gentoo-patches.tar.xz 14604 BLAKE2B f8621956785d365cc056ba53373120d8f99da1476ab9789af6bb8ef00b8dd8c2a4c3599d75e13eba2fc5630b291aed966ce64f7f408504b079e3e994e45da243 SHA512 c57fd81e667e405ab1208a4e4a1d63710e593c07f554420c32980becd3547c2df98fbf6e439a53a626121fc361559f1ba53ab7b7235c97422bba61ece59d23bc
27 -DIST vmd-1.9.4a43.src.tar 123955200 BLAKE2B a99ee2bce1024613ad951fc97f4cd4b6f6ad114aea67a0a6644f687c69eae488eb862fd5ea5bff31e12f01a95f6f60be04dad2a82879603b9b457443267bb18f SHA512 3e3d5d7b0d220f070d4978940ff5ab8af531e507a224cdd15e4871e263de64b4ba24e9d964cb680b31f376afbdc08f46cb4070e3cd4a474b9bfe0732c7b3cff0
28 DIST vmd-1.9.4a51.src.tar.gz 42826371 BLAKE2B 239d87f975c41a71096083028c1db8bf40cc058fc687fd9fff3c14c97c9b12bd68818d4c2eaeefd8c95c661409f1f056bce42178d0ba9271aa344fdce6f81ea9 SHA512 b42af6a4a7b1d2f0d242f89bff3a1c25a608ff59b9902b90154ba82a40439afb802a2d319363fa388a5211420fdaf0ee9bfd1f0a0e6e85d89d1dd506b373ba40
29
30 diff --git a/sci-chemistry/vmd/files/vmd-1.9.4-gentoo-paths.patch b/sci-chemistry/vmd/files/vmd-1.9.4-gentoo-paths.patch
31 deleted file mode 100644
32 index ca74b868d8f..00000000000
33 --- a/sci-chemistry/vmd/files/vmd-1.9.4-gentoo-paths.patch
34 +++ /dev/null
35 @@ -1,276 +0,0 @@
36 ---- a/bin/vmd.sh.old 2020-09-09 18:02:09.135798193 +0200
37 -+++ b/bin/vmd.sh 2020-09-09 18:37:22.355511675 +0200
38 -@@ -436,6 +436,7 @@
39 -
40 - # set the path to a few external programs
41 - # Stride -- used to generate cartoon representations etc.
42 -+export STRIDE_BIN="gentoo-stride"
43 - if [ -z "$STRIDE_BIN" ]
44 - then
45 - if [ -x "$MASTERVMDDIR/stride_$ARCH" ]
46 -@@ -446,6 +447,7 @@
47 - fi
48 -
49 - # Surf -- used to generate molecular surfaces
50 -+export SURF_BIN="gentoo-surf"
51 - if [ -z "$SURF_BIN" ]
52 - then
53 - if [ -x "$MASTERVMDDIR/surf_$ARCH" ]
54 -@@ -456,6 +458,7 @@
55 - fi
56 -
57 - # Tachyon -- used to generate ray traced graphics
58 -+export TACHYON_BIN="gentoo-tachyon"
59 - if [ -z "$TACHYON_BIN" ]
60 - then
61 - if [ -x "$MASTERVMDDIR/tachyon_$ARCH" ]
62 ---- a/configure.old 2020-09-09 18:05:55.778655084 +0200
63 -+++ b/configure 2020-09-09 18:38:01.607083112 +0200
64 -@@ -13,11 +13,10 @@
65 - $install_name = "vmd";
66 -
67 - # Directory where VMD startup script is installed, should be in users' paths.
68 --$install_bin_dir="/usr/local/bin";
69 -+$install_bin_dir="gentoo-bindir";
70 -
71 - # Directory where VMD files and executables are installed
72 --$install_library_dir="/usr/local/lib/$install_name";
73 --
74 -+$install_library_dir="gentoo-libdir/$install_name";
75 -
76 - # optionally override hard-coded defaults above with environment variables
77 - if ($ENV{VMDINSTALLNAME}) {
78 -@@ -143,29 +142,6 @@
79 - # Configure script code begins here
80 - ############################################################################
81 -
82 --## Test for existence of a properly compiled plugin tree
83 --if (!(-e "plugins")) {
84 -- print "\n";
85 -- print "VMD plugin directory not found.\n";
86 -- print "Please compile the VMD plugins and do 'make distrib' to copy them\n";
87 -- print "into a 'plugins' directory linked or located in this directory.\n";
88 -- print "Be sure your PLUGINDIR environment variable is set before running\n";
89 -- print "'make distrib' in the plugin build area.\n";
90 -- print "\n";
91 -- die "Halting configuration until VMD plugins are built.\n";
92 --} else {
93 -- if (!(-e "plugins/include/vmdplugin.h")) {
94 -- print "\n";
95 -- print "VMD plugin include files or directory not found.\n";
96 -- print "Please compile the VMD plugins and do 'make distrib' to copy them\n";
97 -- print "into a 'plugins' directory linked or located in this directory.\n";
98 -- print "Be sure your PLUGINDIR environment variable is set before running\n";
99 -- print "'make distrib' in the plugin build area.\n";
100 -- print "\n";
101 -- die "Halting configuration until VMD plugins are built.\n";
102 -- }
103 --}
104 --
105 - #################### Parse command line options ###########
106 - # list of allowed architectures
107 - @archlist=('AIX6_64', 'ANDROIDARMV7A', 'BLUEGENEQ', 'BLUEWATERS', 'CRAY_XC', 'CRAY_XK', 'FREEBSD', 'FREEBSDAMD64', 'LINUX', 'LINUXAMD64', 'LINUXARM64', 'LINUXCARMA', 'LINUXPPC64', 'MACOSX', 'MACOSXX86', 'MACOSXX86_64', 'OPENPOWER', 'SUMMIT', 'SUMMITDEV', 'SOLARIS2', 'SOLARIS2_64', 'SOLARISX86', 'SOLARISX86_64', 'WIN32', 'WIN64');
108 -@@ -493,7 +469,7 @@
109 -
110 - $arch_cc = "cc";
111 - $arch_ccpp = "CC";
112 --$arch_nvcc = "/usr/local/cuda-10.2/bin/nvcc";
113 -+$arch_nvcc = "gentoo-nvcc";
114 - $arch_nvccflags = "-lineinfo --ptxas-options=-v " .
115 - "-gencode arch=compute_30,code=compute_30 " .
116 - "-gencode arch=compute_30,code=sm_35 " .
117 -@@ -537,7 +513,7 @@
118 -
119 - ################ Plugin options
120 - #
121 --$plugin_dir = "../plugins";
122 -+$plugin_dir = "gentoo-plugindir";
123 - $plugin_include = "-I$plugin_dir/include";
124 - $plugin_library = "";
125 - $plugin_libs = "";
126 -@@ -550,7 +526,7 @@
127 - @plugin_extra = ();
128 -
129 - if ($config_staticplugin) {
130 -- $molfile_dir = "$plugin_dir/$config_arch/molfile";
131 -+ $molfile_dir = "$plugin_dir/compile/lib_LINUX/molfile";
132 - $plugin_include .= " -I$molfile_dir";
133 - $plugin_library .= " -L$molfile_dir";
134 - $plugin_libs .= " -lmolfile_plugin";
135 -@@ -715,8 +691,8 @@
136 - ################ FLTK GUI
137 - $fltk_defines = "-DVMDGUI -DVMDFLTK";
138 - $fltk_dir = "$vmd_library_dir/fltk";
139 --$fltk_include = "-I$fltk_dir/include";
140 --$fltk_library = "-L$fltk_dir/$config_arch";
141 -+$fltk_include = "-Igentoo-fltk-include";
142 -+$fltk_library = "-Lgentoo-fltk-libs";
143 - $fltk_libs = "-lfltk -lX11";
144 - #@fltk_cc = ('forms_ui.c');
145 - @fltk_cu = ();
146 -@@ -777,8 +753,8 @@
147 - if ($config_tk) { $tcl_include .= " -I$stock_tk_include_dir"; }
148 - $tcl_library = "-L$stock_tcl_library_dir";
149 - if ($config_tk) { $tcl_library .= " -L$stock_tk_library_dir"; }
150 --$tcl_libs = "-ltcl8.5";
151 --if ($config_tk) { $tcl_libs = "-ltk8.5 -lX11 " . $tcl_libs; }
152 -+$tcl_libs = "-ltcl";
153 -+if ($config_tk) { $tcl_libs = "-ltk -lX11 " . $tcl_libs; }
154 -
155 - @tcl_cc = ();
156 - @tcl_cu = ();
157 -@@ -1289,8 +1265,8 @@
158 - # This may be commented out if not required.
159 - $libtachyon_defines = "-DVMDLIBTACHYON";
160 - $libtachyon_dir = "$vmd_library_dir/tachyon";
161 --$libtachyon_include = "-I$libtachyon_dir/include";
162 --$libtachyon_library = "-L$libtachyon_dir/lib_$config_arch";
163 -+$libtachyon_include = "-Igentoo-libtachyon-include";
164 -+$libtachyon_library = "-Lgentoo-libtachyon-libs";
165 - $libtachyon_libs = "-ltachyon";
166 - @libtachyon_cc = ();
167 - @libtachyon_cu = ();
168 -@@ -1541,8 +1517,8 @@
169 - #######################
170 - $netcdf_defines = "";
171 - $netcdf_dir = "$vmd_library_dir/netcdf";
172 --$netcdf_include = "-I$netcdf_dir/include";
173 --$netcdf_library = "-L$netcdf_dir/lib_$config_arch";
174 -+$netcdf_include = "-Igentoo-netcdf-include";
175 -+$netcdf_library = "-Lgentoo-netcdf-libs";
176 - $netcdf_libs = "-lnetcdf";
177 - @netcdf_cc = ();
178 - @netcdf_cu = ();
179 -@@ -1595,6 +1571,7 @@
180 - #$stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "/usr/local/lib";
181 - $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "$vmd_library_dir/python/lib_$config_arch/include/python2.5";
182 - $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/config";
183 -+$stock_python_library=$ENV{"PYTHON_LIBRARY"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/config";
184 -
185 - #$stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "/usr/local/include";
186 - #$stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "/usr/local/lib";
187 -@@ -1604,7 +1581,7 @@
188 - $python_defines = "-DVMDPYTHON";
189 - $python_include = "-I$stock_python_include_dir -I$stock_numpy_include_dir -I$stock_numpy_library_dir";
190 - $python_library = "-L$stock_python_library_dir";
191 --$python_libs = "-lpython2.5 -lpthread";
192 -+$python_libs = "$stock_python_library -lpthread";
193 - @python_h = ('PythonTextInterp.h',
194 - 'VMDTkinterMenu.h',
195 - 'py_commands.h',
196 -@@ -2350,8 +2327,8 @@
197 -
198 - # XFree 4.0 Direct Rendering Interface and GLX
199 - $opengl_dep_dir = "/usr/X11R6";
200 -- $opengl_dep_include = "-I$opengl_dep_dir/include";
201 -- $opengl_dep_library = "-L$opengl_dep_dir/lib";
202 -+ $opengl_dep_include = "-Igentoo-opengl-include";
203 -+ $opengl_dep_library = "-Lgentoo-opengl-libs";
204 - $opengl_dep_libs = "-lGL";
205 - # $opengl_dep_libs = "-L/usr/X11R6/lib -lGL -lXext -lX11";
206 -
207 -@@ -2381,15 +2358,15 @@
208 - $arch_lopts .= "-i-static ";
209 - } else {
210 - # compling with GCC
211 -- $arch_cc = "gcc";
212 -- $arch_ccpp = "g++";
213 -+ $arch_cc = "gentoo-gcc";
214 -+ $arch_ccpp = "gentoo-g++";
215 - $arch_depend_flag = "-MM";
216 -- $arch_shld = "g++ -shared";
217 -+ $arch_shld = "gentoo-g++ -shared";
218 - $arch_shlibname = "so";
219 - $arch_shcppopts = "-fPIC";
220 -- $arch_shldopts = "";
221 -- $arch_opt_flag = "-m32 -fno-for-scope -Wno-deprecated -Wall -Wno-unknown-pragmas -O3";
222 -- $arch_copts = "-m32 -Wall -Wno-unknown-pragmas -O3";
223 -+ $arch_shldopts = "gentoo-ldflags";
224 -+ $arch_opt_flag = "gentoo-cflags";
225 -+ $arch_copts = "gentoo-cflags";
226 -
227 - if ($config_static) {
228 - $arch_lopts = "-static";
229 -@@ -2407,14 +2384,13 @@
230 -
231 - $arch_cppopts = "";
232 - if ($config_cuda) {
233 -- $arch_nvcc = "/usr/local/cuda-4.0/bin/nvcc";
234 - $arch_nvccflags = "--ptxas-options=-v " .
235 - "-gencode arch=compute_13,code=sm_13 " .
236 - "-gencode arch=compute_20,code=sm_20 " .
237 - "-gencode arch=compute_20,code=compute_20 " .
238 - "--ftz=true ";
239 -- $arch_nvccflags .= " --machine 32 -O3 -Xcompiler \"-m32\" $cuda_include";
240 -- $cuda_library = "-L/usr/local/cuda-4.0/lib";
241 -+ $arch_nvccflags .= "gentoo-nvflags $cuda_include";
242 -+ $cuda_library = "-Lgentoo-cuda-lib";
243 - $cuda_libs = "-Wl,-rpath -Wl,\$\$ORIGIN/ -lcudart";
244 - }
245 - # this is to make tcl happy
246 -@@ -2513,7 +2489,7 @@
247 -
248 - if ($config_cuda) {
249 - $arch_nvccflags .= " --machine 64 -O3 $cuda_include";
250 -- $cuda_library = "-L/usr/local/cuda-10.2/lib64";
251 -+ $cuda_library = "-Lgentoo-cuda-lib";
252 - }
253 -
254 - $arch_lex = "flex"; # has problems with vendor lex
255 -@@ -3502,11 +3478,11 @@
256 - DEFINES = $DEFINES
257 -
258 - # compiler and compiler directives
259 --CC = $arch_cc
260 --CFLAGS = $arch_copts -DARCH_$config_arch \$(DEFINES) \$(INCDIRS) $rpm_optflags
261 -+CC = gentoo-gcc
262 -+CFLAGS = gentoo-cflags -DARCH_$config_arch \$(DEFINES) \$(INCDIRS) $rpm_optflags
263 -
264 --CCPP = $arch_ccpp
265 --CPPFLAGS = $arch_opt_flag $arch_cppopts -DARCH_$config_arch \$(DEFINES) \$(INCDIRS) $rpm_optflags
266 -+CCPP = gentoo-g++
267 -+CPPFLAGS = gentoo-cxxflags $arch_cppopts -DARCH_$config_arch \$(DEFINES) \$(INCDIRS) $rpm_optflags
268 -
269 - NVCC = $arch_nvcc
270 - NVCCFLAGS = $arch_nvccflags -DARCH_$config_arch \$(DEFINES) \$(INCDIRS)
271 -@@ -3555,7 +3531,7 @@
272 - $config_progname: y.tab.h \$(VMD_OBJS) \$(VMD_PTX)
273 - \$(ECHO) "Linking " \$\@ "..."; \\
274 - \$(CD) $vmd_arch_dir ; \\
275 -- \$(CCPP) \$(CPPFLAGS) -I$vmd_src_dir -o \$\@ \$(VMD_OBJS) \$(LOADLIBES) ;
276 -+ \$(CCPP) \$(LDFLAGS) \$(CPPFLAGS) -I$vmd_src_dir -o \$\@ \$(VMD_OBJS) \$(LOADLIBES) ;
277 - \$(COMPILERC) \$(RCFLAGS)
278 -
279 - install:
280 -@@ -3596,8 +3572,7 @@
281 - -\$(COPY) ../data/.vmdrc ../data/.vmdsensors ../data/vmd_completion.dat "$install_library_dir"
282 - \$(CD) $vmd_bin_dir ; \\
283 - if [ -f run_vmd_tmp ]; then \$(DELETE) run_vmd_tmp; fi ; \\
284 -- if [ ! -x "/bin/csh" ]; then \\
285 -- \$(ECHO) "Info: /bin/csh shell not found, installing Bourne shell startup script instead" ; \\
286 -+ if [ -x "/bin/bash" ]; then \\
287 - \$(ECHO) '#!/bin/sh' >> run_vmd_tmp ; \\
288 - \$(ECHO) 'defaultvmddir="$install_library_dir"' >> run_vmd_tmp ; \\
289 - \$(ECHO) 'vmdbasename=vmd' >> run_vmd_tmp ; \\
290 ---- a/src/Makefile.old 2020-09-09 18:22:46.234818925 +0200
291 -+++ b/src/Makefile 2020-09-09 18:37:22.356511690 +0200
292 -@@ -647,7 +647,7 @@
293 - vmd_LINUXAMD64: y.tab.h $(VMD_OBJS) $(VMD_PTX)
294 - $(ECHO) "Linking " $@ "..."; \
295 - $(CD) ../LINUXAMD64 ; \
296 -- $(CCPP) $(CPPFLAGS) -I../src -o $@ $(VMD_OBJS) $(LOADLIBES) ;
297 -+ $(CCPP) $(LDFLAGS) $(CPPFLAGS) -I../src -o $@ $(VMD_OBJS) $(LOADLIBES) ;
298 - $(COMPILERC) $(RCFLAGS)
299 -
300 - install:
301 -@@ -660,10 +660,6 @@
302 - if [ ! -d "/usr/local/lib/vmd"/doc ]; then \
303 - $(MAKEDIR) "/usr/local/lib/vmd"/doc; \
304 - fi
305 -- -$(COPY) ../Announcement "/usr/local/lib/vmd"
306 -- -$(COPY) ../README "/usr/local/lib/vmd"
307 -- -$(COPY) ../LICENSE "/usr/local/lib/vmd"
308 -- -$(COPY) ../doc/ug.pdf "/usr/local/lib/vmd"/doc
309 - if [ -f /usr/local/lib/vmd/vmd_LINUXAMD64 ]; then \
310 - $(MOVE) "/usr/local/lib/vmd/vmd_LINUXAMD64" "/usr/local/lib/vmd/OLD_vmd_LINUXAMD64" ; $(DELETE) "/usr/local/lib/vmd/OLD_vmd_LINUXAMD64" ; fi
311 - -$(COPY) ../LINUXAMD64/vmd_LINUXAMD64 "/usr/local/lib/vmd"
312
313 diff --git a/sci-chemistry/vmd/files/vmd-1.9.4-tmpdir.patch b/sci-chemistry/vmd/files/vmd-1.9.4-tmpdir.patch
314 deleted file mode 100644
315 index 295811db058..00000000000
316 --- a/sci-chemistry/vmd/files/vmd-1.9.4-tmpdir.patch
317 +++ /dev/null
318 @@ -1,11 +0,0 @@
319 ---- a/scripts/vmd/chemical2vmd.old 2020-09-09 18:40:56.795215443 +0200
320 -+++ b/scripts/vmd/chemical2vmd 2020-09-09 18:41:09.648348701 +0200
321 -@@ -61,7 +61,7 @@
322 -
323 -
324 - # Make a temp. file to store the load command
325 --$ENV{'TMPDIR'} = '/usr/tmp' if !$ENV{'TMPDIR'};
326 -+$ENV{'TMPDIR'} = '/tmp' if !$ENV{'TMPDIR'};
327 - sub tmpfile {
328 - local ($tempfile) = $ENV{'TMPDIR'} . '/chemical2vmd.' . $$;
329 - local ($i);
330
331 diff --git a/sci-chemistry/vmd/vmd-1.9.4_alpha43.ebuild b/sci-chemistry/vmd/vmd-1.9.4_alpha43.ebuild
332 deleted file mode 100644
333 index 417828a3209..00000000000
334 --- a/sci-chemistry/vmd/vmd-1.9.4_alpha43.ebuild
335 +++ /dev/null
336 @@ -1,277 +0,0 @@
337 -# Copyright 1999-2020 Gentoo Authors
338 -# Distributed under the terms of the GNU General Public License v2
339 -
340 -EAPI=7
341 -PYTHON_COMPAT=( python3_{7..9} )
342 -
343 -inherit cuda desktop flag-o-matic prefix python-single-r1 toolchain-funcs xdg
344 -
345 -DESCRIPTION="Visual Molecular Dynamics"
346 -HOMEPAGE="http://www.ks.uiuc.edu/Research/vmd/"
347 -
348 -MY_PV="${PV/_alpha/a}"
349 -MY_P="${PN}-${MY_PV}"
350 -SRC_URI="
351 - ${MY_P}.src.tar
352 - https://dev.gentoo.org/~jlec/distfiles/${PN}-1.9.3-gentoo-patches.tar.xz
353 - https://dev.gentoo.org/~juippis/distfiles/tmp/vmd-1.9.4-gentoo-plugins.patch
354 -"
355 -
356 -SLOT="0"
357 -LICENSE="vmd"
358 -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
359 -
360 -IUSE="cuda gromacs msms povray sqlite tachyon xinerama"
361 -REQUIRED_USE="${PYTHON_REQUIRED_USE}"
362 -
363 -RESTRICT="fetch"
364 -
365 -CDEPEND="
366 - >=dev-lang/tk-8.6.1:0=
367 - dev-lang/perl
368 - dev-libs/expat
369 - $(python_gen_cond_dep 'dev-python/numpy[${PYTHON_MULTI_USEDEP}]')
370 - sci-libs/netcdf:0=
371 - virtual/opengl
372 - >=x11-libs/fltk-1.1.10-r2:1
373 - x11-libs/libXft
374 - x11-libs/libXi
375 - ${PYTHON_DEPS}
376 - cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
377 - gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] )
378 - sqlite? ( dev-db/sqlite:3= )
379 - tachyon? ( >=media-gfx/tachyon-0.99_beta6 )
380 - xinerama? ( x11-libs/libXinerama )
381 -"
382 -DEPEND="${CDEPEND}"
383 -BDEPEND="
384 - virtual/pkgconfig
385 - dev-lang/swig
386 -"
387 -RDEPEND="${CDEPEND}
388 - sci-biology/stride
389 - sci-chemistry/chemical-mime-data
390 - sci-chemistry/surf
391 - x11-terms/xterm
392 - msms? ( sci-chemistry/msms-bin )
393 - povray? ( media-gfx/povray )
394 -"
395 -
396 -S="${WORKDIR}/${MY_P}"
397 -
398 -VMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD"
399 -# Binary only plugin!!
400 -QA_PREBUILT="usr/lib*/vmd/plugins/LINUX/tcl/intersurf/bin/intersurf.so"
401 -QA_FLAGS_IGNORED_amd64=" usr/lib64/vmd/plugins/LINUX/tcl/volutil/volutil"
402 -QA_FLAGS_IGNORED_x86=" usr/lib/vmd/plugins/LINUX/tcl/volutil/volutil"
403 -
404 -pkg_nofetch() {
405 - elog "Please download ${MY_P}.src.tar from"
406 - elog "${VMD_DOWNLOAD}"
407 - elog "after agreeing to the license and get"
408 - elog "https://dev.gentoo.org/~jlec/distfiles/${PN}-1.9.3-gentoo-patches.tar.xz"
409 - elog "https://dev.gentoo.org/~juippis/distfiles/tmp/vmd-1.9.4-gentoo-plugins.patch"
410 - elog "Place them into your DISTDIR directory"
411 - elog
412 - elog "Due to an upstream bug (https://bugs.gentoo.org/640440) sources"
413 - elog "file may get downloaded as a compressed tarball or not. In that case"
414 - elog "you will need to ensure you uncompress the file and rename it"
415 - elog "to ${MY_P}.src.tar"
416 -}
417 -
418 -src_prepare() {
419 - # Apply user patches from ${WORKDIR} to allow patching on patches
420 - # subdir too
421 - cd "${WORKDIR}"
422 - xdg_src_prepare
423 -
424 - # https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32121.html
425 - # https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32116.html
426 - eapply "${DISTDIR}"/${PN}-1.9.4-gentoo-plugins.patch
427 -
428 - use cuda && cuda_sanitize
429 -
430 - # Prepare plugins
431 - cd plugins || die
432 -
433 - sed '/^.SILENT/d' -i $(find -name Makefile)
434 -
435 - sed \
436 - -e "s:CC = gcc:CC = $(tc-getCC):" \
437 - -e "s:CXX = g++:CXX = $(tc-getCXX):" \
438 - -e "s:COPTO =.*\":COPTO = -fPIC -o \":" \
439 - -e "s:LOPTO = .*\":LOPTO = ${LDFLAGS} -fPIC -o \":" \
440 - -e "s:CCFLAGS =.*\":CCFLAGS = ${CFLAGS}\":" \
441 - -e "s:CXXFLAGS =.*\":CXXFLAGS = ${CXXFLAGS}\":" \
442 - -e "s:SHLD = gcc:SHLD = $(tc-getCC) -shared:" \
443 - -e "s:SHXXLD = g++:SHXXLD = $(tc-getCXX) -shared:" \
444 - -e "s:-ltcl8.5:-ltcl:" \
445 - -i Make-arch || die "Failed to set up plugins Makefile"
446 -
447 - sed \
448 - -e '/^AR /s:=:?=:g' \
449 - -e '/^RANLIB /s:=:?=:g' \
450 - -i ../plugins/*/Makefile || die
451 -
452 - tc-export AR RANLIB
453 -
454 - sed \
455 - -e "s:\$(CXXFLAGS)::g" \
456 - -i hesstrans/Makefile || die
457 -
458 - # prepare vmd itself
459 - cd "${S}" || die
460 -
461 - eapply "${FILESDIR}"/${PN}-1.9.4-gentoo-paths.patch
462 -
463 - # https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/32122.html
464 - eapply "${FILESDIR}"/${PN}-1.9.4-tmpdir.patch
465 -
466 - # PREFIX
467 - sed \
468 - -e "s:/usr/include/:${EPREFIX}/usr/include:g" \
469 - -i configure || die
470 -
471 - sed \
472 - -e "s:gentoo-bindir:${ED}/usr/bin:g" \
473 - -e "s:gentoo-libdir:${ED}/usr/$(get_libdir):g" \
474 - -e "s:gentoo-opengl-include:${EPREFIX}/usr/include/GL:g" \
475 - -e "s:gentoo-opengl-libs:${EPREFIX}/usr/$(get_libdir):g" \
476 - -e "s:gentoo-gcc:$(tc-getCC):g" \
477 - -e "s:gentoo-g++:$(tc-getCXX):g" \
478 - -e "s:gentoo-nvcc:${EPREFIX}/opt/cuda/bin/nvcc:g" \
479 - -e "s:gentoo-cflags:${CFLAGS}:g" \
480 - -e "s:gentoo-cxxflags:${CXXFLAGS}:g" \
481 - -e "s:gentoo-nvflags::g" \
482 - -e "s:gentoo-ldflags:${LDFLAGS}:g" \
483 - -e "s:gentoo-plugindir:${WORKDIR}/plugins:g" \
484 - -e "s:gentoo-fltk-include:$(fltk-config --includedir):g" \
485 - -e "s:gentoo-fltk-libs:$(dirname $(fltk-config --libs)) -Wl,-rpath,$(dirname $(fltk-config --libs)):g" \
486 - -e "s:gentoo-libtachyon-include:${EPREFIX}/usr/include/tachyon:g" \
487 - -e "s:gentoo-libtachyon-libs:${EPREFIX}/usr/$(get_libdir):g" \
488 - -e "s:gentoo-netcdf-include:${EPREFIX}/usr/include:g" \
489 - -e "s:gentoo-netcdf-libs:${EPREFIX}/usr/$(get_libdir):g" \
490 - -i configure || die
491 -
492 - if use cuda; then
493 - sed \
494 - -e "s:gentoo-cuda-lib:${EPREFIX}/opt/cuda/$(get_libdir):g" \
495 - -e "/NVCCFLAGS/s:=:= ${NVCCFLAGS}:g" \
496 - -i configure src/Makefile || die
497 - sed \
498 - -e '/compute_/d' \
499 - -i configure || die
500 - sed \
501 - -e 's:-gencode .*code=sm_..::' \
502 - -i src/Makefile || die
503 - fi
504 -
505 - sed \
506 - -e "s:LINUXPPC:LINUX:g" \
507 - -e "s:LINUXALPHA:LINUX:g" \
508 - -e "s:LINUXAMD64:LINUX:g" \
509 - -e "s:gentoo-stride:${EPREFIX}/usr/bin/stride:g" \
510 - -e "s:gentoo-surf:${EPREFIX}/usr/bin/surf:g" \
511 - -e "s:gentoo-tachyon:${EPREFIX}/usr/bin/tachyon:g" \
512 - -i "${S}"/bin/vmd.sh || die "failed setting up vmd wrapper script"
513 -
514 - EMAKEOPTS=(
515 - TCLINC="-I${EPREFIX}/usr/include"
516 - TCLLIB="-L${EPREFIX}/usr/$(get_libdir)"
517 - TCLLDFLAGS="-shared"
518 - NETCDFLIB="$($(tc-getPKG_CONFIG) --libs-only-L netcdf)${EPREFIX}/usr/$(get_libdir)/libnetcdf.so"
519 - NETCDFINC="$($(tc-getPKG_CONFIG) --cflags-only-I netcdf)${EPREFIX}/usr/include"
520 - NETCDFLDFLAGS="$($(tc-getPKG_CONFIG) --libs netcdf)"
521 - NETCDFDYNAMIC=1
522 - EXPATINC="-I${EPREFIX}/usr/include"
523 - EXPATLIB="$($(tc-getPKG_CONFIG) --libs expat)"
524 - EXPATLDFLAGS="-shared"
525 - EXPATDYNAMIC=1
526 - )
527 - if use gromacs; then
528 - EMAKEOPTS+=(
529 - TNGLIB="$($(tc-getPKG_CONFIG) --libs libgromacs)"
530 - TNGINC="-I${EPREFIX}/usr/include"
531 - TNGLDFLAGS="-shared"
532 - TNGDYNAMIC=1
533 - )
534 - fi
535 - if use sqlite; then
536 - EMAKEOPTS+=(
537 - SQLITELIB="$($(tc-getPKG_CONFIG) --libs sqlite3)"
538 - SQLITEINC="-I${EPREFIX}/usr/include"
539 - SQLITELDFLAGS="-shared"
540 - SQLITEDYNAMIC=1
541 - )
542 - fi
543 -}
544 -
545 -src_configure() {
546 - local myconf="OPENGL OPENGLPBUFFER COLVARS FLTK TK TCL PTHREADS PYTHON IMD NETCDF NUMPY NOSILENT XINPUT"
547 - rm -f configure.options && echo $myconf >> configure.options
548 -
549 - use cuda && myconf+=" CUDA"
550 -# use mpi && myconf+=" MPI"
551 - use tachyon && myconf+=" LIBTACHYON"
552 - use xinerama && myconf+=" XINERAMA"
553 -
554 - export \
555 - PYTHON_INCLUDE_DIR="$(python_get_includedir)" \
556 - PYTHON_LIBRARY_DIR="$(python_get_library_path)" \
557 - PYTHON_LIBRARY="$(python_get_LIBS)" \
558 - NUMPY_INCLUDE_DIR="$(python_get_sitedir)/numpy/core/include" \
559 - NUMPY_LIBRARY_DIR="$(python_get_sitedir)/numpy/core/include"
560 -
561 - perl ./configure LINUX \
562 - ${myconf} || die
563 -}
564 -
565 -src_compile() {
566 - # build plugins
567 - cd "${WORKDIR}"/plugins || die
568 -
569 - emake \
570 - ${EMAKEOPTS[@]} \
571 - LINUX
572 -
573 - # build vmd
574 - cd "${S}"/src || die
575 - emake
576 -}
577 -
578 -src_install() {
579 - # install plugins
580 - cd "${WORKDIR}"/plugins || die
581 - emake \
582 - PLUGINDIR="${ED}/usr/$(get_libdir)/${PN}/plugins" \
583 - distrib
584 -
585 - # install vmd
586 - cd "${S}"/src || die
587 - emake install
588 -
589 - # install docs
590 - cd "${S}" || die
591 - dodoc Announcement README doc/ig.pdf doc/ug.pdf
592 -
593 - # remove some of the things we don't want and need in
594 - # /usr/lib
595 - cd "${ED}"/usr/$(get_libdir)/vmd || die
596 - rm -fr doc README Announcement LICENSE || \
597 - die "failed to clean up /usr/lib/vmd directory"
598 -
599 - # adjust path in vmd wrapper
600 - sed \
601 - -e "s:${ED}::" -i "${ED}"/usr/bin/${PN} \
602 - -e "/^defaultvmddir/s:^.*$:defaultvmddir=\"${EPREFIX}/usr/$(get_libdir)/${PN}\":g" \
603 - || die "failed to set up vmd wrapper script"
604 -
605 - # install icon and generate desktop entry
606 - insinto /usr/share/pixmaps
607 - doins "${WORKDIR}"/vmd.png
608 - eprefixify "${WORKDIR}"/vmd.desktop
609 - sed -i '/^Path/d' "${WORKDIR}"/vmd.desktop || die
610 - # Open PDB files with VMD
611 - echo "MimeType=chemical/x-pdb;" >> "${WORKDIR}"/vmd.desktop || die
612 - domenu "${WORKDIR}"/vmd.desktop
613 -}