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commit: e5021743306a42e0f90557907dcc58aac185790b |
2 |
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz> |
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AuthorDate: Fri Apr 20 11:39:39 2012 +0000 |
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Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz> |
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CommitDate: Fri Apr 20 11:39:39 2012 +0000 |
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URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=e5021743 |
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|
8 |
sci-physics/abinit-6.12.* improved to find uudecode, a patch created for that by mistake removed once more. Several packages related to Abinit, including sci-physics/elk, version-bumped. |
9 |
|
10 |
--- |
11 |
sci-libs/fox/ChangeLog | 9 ++- |
12 |
sci-libs/fox/fox-4.1.2.ebuild | 61 +++++++++++++ |
13 |
sci-libs/fox/metadata.xml | 11 ++- |
14 |
sci-physics/abinit/ChangeLog | 4 + |
15 |
sci-physics/abinit/abinit-6.12.2.ebuild | 8 +-- |
16 |
sci-physics/abinit/abinit-6.12.3.ebuild | 8 +-- |
17 |
sci-physics/abinit/files/6.12.1-gui-conf.patch | 12 --- |
18 |
sci-physics/atompaw/ChangeLog | 8 ++- |
19 |
sci-physics/atompaw/atompaw-3.0.1-r1.ebuild | 68 -------------- |
20 |
sci-physics/atompaw/atompaw-3.0.1.4.ebuild | 70 ++++++++++++++ |
21 |
sci-physics/atompaw/atompaw-3.0.1.ebuild | 66 -------------- |
22 |
sci-physics/elk/ChangeLog | 7 ++- |
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sci-physics/elk/elk-1.4.18.ebuild | 115 ++++++++++++++++++++++++ |
24 |
13 files changed, 279 insertions(+), 168 deletions(-) |
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|
26 |
diff --git a/sci-libs/fox/ChangeLog b/sci-libs/fox/ChangeLog |
27 |
index 791c95e..5ab07b1 100644 |
28 |
--- a/sci-libs/fox/ChangeLog |
29 |
+++ b/sci-libs/fox/ChangeLog |
30 |
@@ -1,7 +1,14 @@ |
31 |
# ChangeLog for sci-libs/fox |
32 |
-# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 |
33 |
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 |
34 |
# $Header: $ |
35 |
|
36 |
+*fox-4.1.2 (19 Apr 2012) |
37 |
+ |
38 |
+ 19 Apr 2012; Honza Macháček <Hloupy.Honza@×××××××.cz> +fox-4.1.2.ebuild, |
39 |
+ metadata.xml: |
40 |
+ A version bump to 4.1.2. Not moved to autotools-utils, does not like out of |
41 |
+ the tree compilation. Metadata improved. |
42 |
+ |
43 |
24 Jun 2011; Justin Lecher <jlec@g.o> fox-4.0.4.ebuild, |
44 |
fox-4.1.0.ebuild: |
45 |
Fix CVS Header , remove LICENSE from installation |
46 |
|
47 |
diff --git a/sci-libs/fox/fox-4.1.2.ebuild b/sci-libs/fox/fox-4.1.2.ebuild |
48 |
new file mode 100644 |
49 |
index 0000000..de3ba9f |
50 |
--- /dev/null |
51 |
+++ b/sci-libs/fox/fox-4.1.2.ebuild |
52 |
@@ -0,0 +1,61 @@ |
53 |
+# Copyright 1999-2012 Gentoo Foundation |
54 |
+# Distributed under the terms of the GNU General Public License v2 |
55 |
+# $Header: $ |
56 |
+ |
57 |
+EAPI=4 |
58 |
+ |
59 |
+inherit eutils |
60 |
+ |
61 |
+MY_PN="FoX" |
62 |
+MY_P="${MY_PN}-${PV}" |
63 |
+ |
64 |
+DESCRIPTION="A library designed to allow the easy use of XML from Fortran" |
65 |
+HOMEPAGE="http://www1.gly.bris.ac.uk/~walker/FoX/" |
66 |
+SRC_URI="http://www1.gly.bris.ac.uk/~walker/FoX/source/${MY_P}-full.tar.gz" |
67 |
+ |
68 |
+LICENSE="BSD ZLIB" |
69 |
+SLOT="0" |
70 |
+KEYWORDS="~amd64 ~x86" |
71 |
+IUSE="debug doc +dom +fast +sax +wcml +wkml +wxml" |
72 |
+ |
73 |
+S="${WORKDIR}/${MY_P}" |
74 |
+ |
75 |
+DOCS=( README.FoX.txt Changelog ) |
76 |
+ |
77 |
+FORTRAN_STANDARD=90 |
78 |
+ |
79 |
+src_prepare() { |
80 |
+ epatch "${FILESDIR}"/4.0.4-install-customizations.patch |
81 |
+} |
82 |
+ |
83 |
+src_configure() { |
84 |
+ econf --prefix=/usr \ |
85 |
+ $(use_enable debug) \ |
86 |
+ $(use_enable dom) \ |
87 |
+ $(use_enable fast) \ |
88 |
+ $(use_enable sax) \ |
89 |
+ $(use_enable wcml) \ |
90 |
+ $(use_enable wkml) \ |
91 |
+ $(use_enable wxml) \ |
92 |
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" |
93 |
+} |
94 |
+ |
95 |
+src_compile() { |
96 |
+ emake -j1 || die "make failed" |
97 |
+} |
98 |
+ |
99 |
+src_test() { |
100 |
+ emake -j1 check || die "make check failed" |
101 |
+ einfo "Please look at the last few RESULT lines for a summary." |
102 |
+} |
103 |
+ |
104 |
+src_install() { |
105 |
+ sed -i -e's%^comp_prefix=.*$%comp_prefix=/usr%' \ |
106 |
+ -e's%comp_prefix/finclude%comp_prefix/lib/finclude%' \ |
107 |
+ FoX-config |
108 |
+ emake -j1 DESTDIR="${D}" install || die "make install failed" |
109 |
+ dodoc README.FoX.txt Changelog || die "dodoc failed" |
110 |
+ if use doc; then |
111 |
+ dohtml -r DoX/ || die "installing the HTML docs failed" |
112 |
+ fi |
113 |
+} |
114 |
|
115 |
diff --git a/sci-libs/fox/metadata.xml b/sci-libs/fox/metadata.xml |
116 |
index 0ad2e28..0d10e10 100644 |
117 |
--- a/sci-libs/fox/metadata.xml |
118 |
+++ b/sci-libs/fox/metadata.xml |
119 |
@@ -6,10 +6,11 @@ |
120 |
<email>sci@g.o</email> |
121 |
</maintainer> |
122 |
<use> |
123 |
- <flag name="dom">Automatically generated description for dom</flag> |
124 |
- <flag name="fast">Automatically generated description for fast</flag> |
125 |
- <flag name="sax">Automatically generated description for sax</flag> |
126 |
- <flag name="wcml">Automatically generated description for wcml</flag> |
127 |
- <flag name="wxml">Automatically generated description for wxml</flag> |
128 |
+ <flag name="dom">Compile the W3C document object model module</flag> |
129 |
+ <flag name="fast">Compile with best known optimization flags</flag> |
130 |
+ <flag name="sax">Compile the streaming, validating parser based on java's Simple API for XML</flag> |
131 |
+ <flag name="wcml">Compile the module for a subset of the Chemical Markup Language</flag> |
132 |
+ <flag name="wkml">Compile the module for the creation of KML documents used by applications such as Google Earth</flag> |
133 |
+ <flag name="wxml">Compile the XML writer used to sequentially create arbitrary XML documents quickly with minimal memory requirements</flag> |
134 |
</use> |
135 |
</pkgmetadata> |
136 |
|
137 |
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog |
138 |
index 60fb829..23db32a 100644 |
139 |
--- a/sci-physics/abinit/ChangeLog |
140 |
+++ b/sci-physics/abinit/ChangeLog |
141 |
@@ -2,6 +2,10 @@ |
142 |
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 |
143 |
# $Header: $ |
144 |
|
145 |
+ 19 Apr 2012; Honza Macháček <Hloupy.Honza@×××××××.cz> |
146 |
+ -files/6.12.1-gui-conf.patch, abinit-6.12.2.ebuild, abinit-6.12.3.ebuild: |
147 |
+ GUI configuration corrected (to find uudecode). |
148 |
+ |
149 |
*abinit-6.12.3 (13 Apr 2012) |
150 |
|
151 |
13 Apr 2012; Honza Macháček <Hloupy.Honza@×××××××.cz> |
152 |
|
153 |
diff --git a/sci-physics/abinit/abinit-6.12.2.ebuild b/sci-physics/abinit/abinit-6.12.2.ebuild |
154 |
index ddb4355..5fa4e8c 100644 |
155 |
--- a/sci-physics/abinit/abinit-6.12.2.ebuild |
156 |
+++ b/sci-physics/abinit/abinit-6.12.2.ebuild |
157 |
@@ -114,12 +114,6 @@ src_prepare() { |
158 |
epatch "${FILESDIR}"/6.12.1-libabinit_options.patch |
159 |
eautoreconf |
160 |
|
161 |
- if use gui; then |
162 |
- epatch "${FILESDIR}"/6.12.1-gui-conf.patch |
163 |
- pushd "${S}"/gui > /dev/null |
164 |
- ./autogen.sh |
165 |
- popd |
166 |
- fi |
167 |
} |
168 |
|
169 |
src_configure() { |
170 |
@@ -218,7 +212,7 @@ src_configure() { |
171 |
pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null |
172 |
mkdir -p gui |
173 |
cd gui |
174 |
- ECONF_SOURCE="${S}"/gui econf |
175 |
+ ECONF_SOURCE="${S}"/gui econf UUDECODE="uudecode" |
176 |
fi |
177 |
} |
178 |
|
179 |
|
180 |
diff --git a/sci-physics/abinit/abinit-6.12.3.ebuild b/sci-physics/abinit/abinit-6.12.3.ebuild |
181 |
index d18f5ff..aacc90a 100644 |
182 |
--- a/sci-physics/abinit/abinit-6.12.3.ebuild |
183 |
+++ b/sci-physics/abinit/abinit-6.12.3.ebuild |
184 |
@@ -114,12 +114,6 @@ src_prepare() { |
185 |
epatch "${FILESDIR}"/6.12.1-libabinit_options.patch |
186 |
eautoreconf |
187 |
|
188 |
- if use gui; then |
189 |
- epatch "${FILESDIR}"/6.12.1-gui-conf.patch |
190 |
- pushd "${S}"/gui > /dev/null |
191 |
- ./autogen.sh |
192 |
- popd |
193 |
- fi |
194 |
} |
195 |
|
196 |
src_configure() { |
197 |
@@ -218,7 +212,7 @@ src_configure() { |
198 |
pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null |
199 |
mkdir -p gui |
200 |
cd gui |
201 |
- ECONF_SOURCE="${S}"/gui econf |
202 |
+ ECONF_SOURCE="${S}"/gui econf UUDECODE="uudecode" |
203 |
fi |
204 |
} |
205 |
|
206 |
|
207 |
diff --git a/sci-physics/abinit/files/6.12.1-gui-conf.patch b/sci-physics/abinit/files/6.12.1-gui-conf.patch |
208 |
deleted file mode 100644 |
209 |
index 95c12b3..0000000 |
210 |
--- a/sci-physics/abinit/files/6.12.1-gui-conf.patch |
211 |
+++ /dev/null |
212 |
@@ -1,12 +0,0 @@ |
213 |
-diff -Naur abinit-6.12.1_orig/gui/configure abinit-6.12.1/gui/configure |
214 |
---- gui/configure 2012-01-30 19:42:26.000000000 +0000 |
215 |
-+++ gui/configure 2012-03-16 13:38:54.000000000 +0000 |
216 |
-@@ -3143,7 +3143,7 @@ |
217 |
- test -z "$as_dir" && as_dir=. |
218 |
- for ac_exec_ext in '' $ac_executable_extensions; do |
219 |
- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then |
220 |
-- ac_cv_prog_UUDECODE="no" |
221 |
-+ ac_cv_prog_UUDECODE="$as_dir/$ac_word$ac_exec_ext" |
222 |
- $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 |
223 |
- break 2 |
224 |
- fi |
225 |
|
226 |
diff --git a/sci-physics/atompaw/ChangeLog b/sci-physics/atompaw/ChangeLog |
227 |
index 4687ce8..4b4190a 100644 |
228 |
--- a/sci-physics/atompaw/ChangeLog |
229 |
+++ b/sci-physics/atompaw/ChangeLog |
230 |
@@ -1,7 +1,13 @@ |
231 |
# ChangeLog for sci-physics/atompaw |
232 |
-# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 |
233 |
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 |
234 |
# $Header: $ |
235 |
|
236 |
+*atompaw-3.0.1.4 (18 Apr 2012) |
237 |
+ |
238 |
+ 18 Apr 2012; Honza Macháček <Hloupy.Honza@×××××××.cz> |
239 |
+ -atompaw-3.0.1.ebuild, -atompaw-3.0.1-r1.ebuild, +atompaw-3.0.1.4.ebuild: |
240 |
+ A version bump to 3.0.1.4 with transition to autotools-utils. |
241 |
+ |
242 |
*atompaw-3.0.1.3 (09 Nov 2011) |
243 |
|
244 |
09 Nov 2011; Honza Macháček <Hloupy.Honza@×××××××.cz> |
245 |
|
246 |
diff --git a/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild b/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild |
247 |
deleted file mode 100644 |
248 |
index 1b26df1..0000000 |
249 |
--- a/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild |
250 |
+++ /dev/null |
251 |
@@ -1,68 +0,0 @@ |
252 |
-# Copyright 1999-2011 Gentoo Foundation |
253 |
-# Distributed under the terms of the GNU General Public License v2 |
254 |
-# $Header: $ |
255 |
- |
256 |
-EAPI=3 |
257 |
- |
258 |
-inherit eutils fortran-2 multilib toolchain-funcs |
259 |
- |
260 |
-DESCRIPTION="PAW atomic data generator" |
261 |
-HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html" |
262 |
-SRC_URI="http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz |
263 |
- doc? ( http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf |
264 |
- http://www.wfu.edu/~natalie/papers/pwpaw/atompaw-usersguide.pdf |
265 |
- http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" |
266 |
- |
267 |
-LICENSE="GPL-2" |
268 |
-SLOT="0" |
269 |
-KEYWORDS="~amd64 ~x86" |
270 |
-IUSE="doc libxc" |
271 |
- |
272 |
-RDEPEND="virtual/lapack |
273 |
- virtual/blas |
274 |
- libxc? ( sci-libs/libxc[fortran] )" |
275 |
-DEPEND="${RDEPEND} |
276 |
- dev-util/pkgconfig" |
277 |
- |
278 |
-src_unpack() { |
279 |
- unpack ${P}.tar.gz |
280 |
- if use doc; then |
281 |
- cp "${DISTDIR}"/atompaw.pdf "${S}"/ |
282 |
- cp "${DISTDIR}"/atompaw-usersguide.pdf "${S}"/ |
283 |
- cp "${DISTDIR}"/atompawEqns.pdf "${S}"/ |
284 |
- fi |
285 |
-} |
286 |
- |
287 |
-src_prepare() { |
288 |
- cd ${S} |
289 |
- epatch ${FILESDIR}/3.0.1-longplot.patch |
290 |
-} |
291 |
- |
292 |
-src_configure() { |
293 |
- local modules="-I/usr/$(get_libdir)/finclude" |
294 |
- econf $(use_enable libxc) \ |
295 |
- --with-linalg-flavor=atlas \ |
296 |
- --with-linalg-libs="$(pkg-config --libs lapack)" \ |
297 |
- --with-libxc-incs="${modules}" \ |
298 |
- --with-libxc-libs="${libs} -lxc" \ |
299 |
- FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \ |
300 |
- CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" |
301 |
-} |
302 |
- |
303 |
-src_compile() { |
304 |
- emake -j1 || die "Make failed" |
305 |
-} |
306 |
- |
307 |
-src_test() { |
308 |
- emake check || die "Test failed" |
309 |
-} |
310 |
- |
311 |
-src_install() { |
312 |
- emake DESTDIR="${D}" install || die "make install failed" |
313 |
- |
314 |
- dodoc README || die "dodoc failed" |
315 |
- |
316 |
- if use doc; then |
317 |
- dodoc atompaw.pdf atompaw-usersguide.pdf atompawEqns.pdf || die "PDF doc failed" |
318 |
- fi |
319 |
-} |
320 |
|
321 |
diff --git a/sci-physics/atompaw/atompaw-3.0.1.4.ebuild b/sci-physics/atompaw/atompaw-3.0.1.4.ebuild |
322 |
new file mode 100644 |
323 |
index 0000000..3e7a2d9 |
324 |
--- /dev/null |
325 |
+++ b/sci-physics/atompaw/atompaw-3.0.1.4.ebuild |
326 |
@@ -0,0 +1,70 @@ |
327 |
+# Copyright 1999-2012 Gentoo Foundation |
328 |
+# Distributed under the terms of the GNU General Public License v2 |
329 |
+# $Header: $ |
330 |
+ |
331 |
+EAPI=4 |
332 |
+ |
333 |
+inherit autotools-utils fortran-2 multilib toolchain-funcs |
334 |
+ |
335 |
+DESCRIPTION="PAW atomic data generator" |
336 |
+HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html" |
337 |
+SRC_URI="http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz |
338 |
+ doc? ( http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf |
339 |
+ http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" |
340 |
+ |
341 |
+LICENSE="GPL-2" |
342 |
+SLOT="0" |
343 |
+KEYWORDS="~amd64 ~x86" |
344 |
+IUSE="doc libxc" |
345 |
+ |
346 |
+RDEPEND="virtual/lapack |
347 |
+ virtual/blas |
348 |
+ libxc? ( sci-libs/libxc[fortran] )" |
349 |
+DEPEND="${RDEPEND} |
350 |
+ dev-util/pkgconfig" |
351 |
+ |
352 |
+DOCS=( README ) |
353 |
+ |
354 |
+FORTRAN_STANDARD=90 |
355 |
+ |
356 |
+src_unpack() { |
357 |
+ unpack ${P}.tar.gz |
358 |
+ if use doc; then |
359 |
+ cp "${DISTDIR}"/atompaw.pdf "${S}"/doc/ |
360 |
+ cp "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ |
361 |
+ fi |
362 |
+} |
363 |
+ |
364 |
+src_prepare() { |
365 |
+ epatch ${FILESDIR}/3.0.1-longplot.patch |
366 |
+} |
367 |
+ |
368 |
+src_configure() { |
369 |
+ local modules="-I/usr/$(get_libdir)/finclude" |
370 |
+ local myeconfargs=( |
371 |
+ $(use_enable libxc) |
372 |
+ --with-linalg-flavor=atlas |
373 |
+ --with-linalg-libs="$(pkg-config --libs lapack)" |
374 |
+ --with-libxc-incs="-I/usr/include ${modules}" |
375 |
+ --with-libxc-libs="${libs} -lxc" |
376 |
+ FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" |
377 |
+ CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" |
378 |
+ ) |
379 |
+ autotools-utils_src_configure |
380 |
+} |
381 |
+ |
382 |
+src_compile() { |
383 |
+ autotools-utils_src_compile -j1 |
384 |
+} |
385 |
+ |
386 |
+src_test() { |
387 |
+ use test && autotools-utils_src_test |
388 |
+} |
389 |
+ |
390 |
+src_install() { |
391 |
+ autotools-utils_src_install |
392 |
+ |
393 |
+ if use doc; then |
394 |
+ dodoc doc/atompaw.pdf doc/atompawEqns.pdf || die "PDF doc failed" |
395 |
+ fi |
396 |
+} |
397 |
|
398 |
diff --git a/sci-physics/atompaw/atompaw-3.0.1.ebuild b/sci-physics/atompaw/atompaw-3.0.1.ebuild |
399 |
deleted file mode 100644 |
400 |
index 41a0bcf..0000000 |
401 |
--- a/sci-physics/atompaw/atompaw-3.0.1.ebuild |
402 |
+++ /dev/null |
403 |
@@ -1,66 +0,0 @@ |
404 |
-# Copyright 1999-2011 Gentoo Foundation |
405 |
-# Distributed under the terms of the GNU General Public License v2 |
406 |
-# $Header: $ |
407 |
- |
408 |
-EAPI=3 |
409 |
- |
410 |
-inherit eutils fortran-2 multilib toolchain-funcs |
411 |
- |
412 |
-DESCRIPTION="PAW atomic data generator" |
413 |
-HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html" |
414 |
-SRC_URI=" |
415 |
- http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz |
416 |
- doc? ( |
417 |
- http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf |
418 |
- http://www.wfu.edu/~natalie/papers/pwpaw/atompaw-usersguide.pdf |
419 |
- http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" |
420 |
- |
421 |
-LICENSE="GPL-2" |
422 |
-SLOT="0" |
423 |
-KEYWORDS="~amd64 ~x86" |
424 |
-IUSE="doc libxc" |
425 |
- |
426 |
-RDEPEND=" |
427 |
- virtual/lapack |
428 |
- virtual/blas |
429 |
- libxc? ( sci-libs/libxc[fortran] )" |
430 |
-DEPEND="${RDEPEND} |
431 |
- dev-util/pkgconfig" |
432 |
- |
433 |
-src_unpack() { |
434 |
- unpack ${P}.tar.gz |
435 |
- if use doc; then |
436 |
- cp "${DISTDIR}"/atompaw.pdf "${S}"/ |
437 |
- cp "${DISTDIR}"/atompaw-usersguide.pdf "${S}"/ |
438 |
- cp "${DISTDIR}"/atompawEqns.pdf "${S}"/ |
439 |
- fi |
440 |
-} |
441 |
- |
442 |
-src_configure() { |
443 |
- local modules="-I/usr/$(get_libdir)/finclude" |
444 |
- econf $(use_enable libxc) \ |
445 |
- --with-linalg-flavor=atlas \ |
446 |
- --with-linalg-libs="$(pkg-config --libs lapack)" \ |
447 |
- --with-libxc-incs="${modules}" \ |
448 |
- --with-libxc-libs="${libs} -lxc" \ |
449 |
- FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \ |
450 |
- CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" |
451 |
-} |
452 |
- |
453 |
-src_compile() { |
454 |
- emake -j1 || die "Make failed" |
455 |
-} |
456 |
- |
457 |
-src_test() { |
458 |
- emake check || die "Test failed" |
459 |
-} |
460 |
- |
461 |
-src_install() { |
462 |
- emake DESTDIR="${D}" install || die "make install failed" |
463 |
- |
464 |
- dodoc README || die "dodoc failed" |
465 |
- |
466 |
- if use doc; then |
467 |
- dodoc atompaw.pdf atompaw-usersguide.pdf atompawEqns.pdf || die "PDF doc failed" |
468 |
- fi |
469 |
-} |
470 |
|
471 |
diff --git a/sci-physics/elk/ChangeLog b/sci-physics/elk/ChangeLog |
472 |
index 34c82fc..b184d1c 100644 |
473 |
--- a/sci-physics/elk/ChangeLog |
474 |
+++ b/sci-physics/elk/ChangeLog |
475 |
@@ -1,7 +1,12 @@ |
476 |
# ChangeLog for sci-physics/elk |
477 |
-# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 |
478 |
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 |
479 |
# $Header: $ |
480 |
|
481 |
+*elk-1.4.18 (18 Apr 2012) |
482 |
+ |
483 |
+ 18 Apr 2012; Honza Macháček <Hloupy.Honza@×××××××.cz> +elk-1.4.18.ebuild: |
484 |
+ A version bump to 1.4.18. |
485 |
+ |
486 |
*elk-1.4.5 (14 Dec 2011) |
487 |
|
488 |
14 Dec 2011; Honza Macháček <Hloupy.Honza@×××××××.cz> elk-1.3.15.ebuild, |
489 |
|
490 |
diff --git a/sci-physics/elk/elk-1.4.18.ebuild b/sci-physics/elk/elk-1.4.18.ebuild |
491 |
new file mode 100644 |
492 |
index 0000000..27b3f3a |
493 |
--- /dev/null |
494 |
+++ b/sci-physics/elk/elk-1.4.18.ebuild |
495 |
@@ -0,0 +1,115 @@ |
496 |
+# Copyright 1999-2012 Gentoo Foundation |
497 |
+# Distributed under the terms of the GNU General Public License v2 |
498 |
+# $Header: $ |
499 |
+ |
500 |
+EAPI="4" |
501 |
+ |
502 |
+inherit eutils fortran-2 multilib toolchain-funcs |
503 |
+ |
504 |
+DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW) code with advanced features." |
505 |
+HOMEPAGE="http://elk.sourceforge.net/" |
506 |
+SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" |
507 |
+ |
508 |
+LICENSE="GPL-3" |
509 |
+SLOT="0" |
510 |
+KEYWORDS="~amd64 ~x86" |
511 |
+IUSE="-debug lapack libxc mpi openmp perl test" |
512 |
+ |
513 |
+RDEPEND="lapack? ( virtual/blas |
514 |
+ virtual/lapack ) |
515 |
+ libxc? ( =sci-libs/libxc-1*[fortran] ) |
516 |
+ mpi? ( virtual/mpi )" |
517 |
+DEPEND="${RDEPEND} |
518 |
+ perl? ( dev-lang/perl ) |
519 |
+ dev-util/pkgconfig" |
520 |
+ |
521 |
+DOCS=( README ) |
522 |
+ |
523 |
+FORTRAN_STANDARD=90 |
524 |
+ |
525 |
+pkg_setup() { |
526 |
+ # fortran-2.eclass does not handle mpi wrappers |
527 |
+ if use mpi; then |
528 |
+ export FC="mpif90" |
529 |
+ export F77="mpif77" |
530 |
+ export CC="mpicc" |
531 |
+ export CXX="mpic++" |
532 |
+ else |
533 |
+ tc-export FC F77 CC CXX |
534 |
+ fi |
535 |
+ |
536 |
+ if use openmp; then |
537 |
+ FORTRAN_NEED_OPENMP=1 |
538 |
+ fi |
539 |
+ |
540 |
+ fortran-2_pkg_setup |
541 |
+ |
542 |
+ if use openmp; then |
543 |
+ export FC="${FC} -fopenmp" |
544 |
+ export F77="${F77} -fopenmp" |
545 |
+ export CC="${CC} -fopenmp" |
546 |
+ export CXX="${CXX} -fopenmp" |
547 |
+ fi |
548 |
+} |
549 |
+ |
550 |
+src_prepare() { |
551 |
+ if use libxc; then |
552 |
+ sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" |
553 |
+ fi |
554 |
+ if use mpi; then |
555 |
+ sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" |
556 |
+ fi |
557 |
+} |
558 |
+ |
559 |
+src_configure() { |
560 |
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O3 -funroll-loops -ffast-math}}" |
561 |
+ FCFLAGS="${FCFLAGS} -I/usr/include -I/usr/$(get_libdir)/finclude" |
562 |
+ CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}" |
563 |
+ CXXFLAGS="${CXXFLAGS:- ${CFLAGS}}" |
564 |
+ export FCFLAGS CFLAGS CXXFLAGS |
565 |
+ echo "MAKE = make" > make.inc |
566 |
+ echo "F90 = $FC" >> make.inc |
567 |
+ echo "F90_OPTS = $FCFLAGS" >> make.inc |
568 |
+ echo "F77 = $FC" >> make.inc |
569 |
+ echo "F77_OPTS = $FCFLAGS" >> make.inc |
570 |
+ echo "CC = ${CC}" >> make.inc |
571 |
+ echo "CXX = ${CXX}" >> make.inc |
572 |
+ echo "CFLAGS = ${CFLAGS}" >> make.inc |
573 |
+ echo "CXXFLAGS = ${CXXFLAGS}" >> make.inc |
574 |
+ echo "LD = $(tc-getLD)" >> make.inc |
575 |
+ echo "AR = ar" >> make.inc |
576 |
+ echo "LIB_SYS = " >> make.inc |
577 |
+ if use lapack; then |
578 |
+ echo "LIB_LPK = $(pkg-config --libs lapack)" >> make.inc |
579 |
+ else |
580 |
+ echo "LIB_LPK = lapack.a blas.a" >> make.inc |
581 |
+ fi |
582 |
+ echo "LIB_FFT = fftlib.a" >> make.inc |
583 |
+ if use libxc; then |
584 |
+ echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc |
585 |
+ echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc |
586 |
+ fi |
587 |
+} |
588 |
+ |
589 |
+src_compile() { |
590 |
+ emake -j1 || die "make failed" |
591 |
+} |
592 |
+ |
593 |
+src_test() { |
594 |
+ emake test |
595 |
+} |
596 |
+ |
597 |
+src_install() { |
598 |
+ dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup |
599 |
+ dobin utilities/elk-bands |
600 |
+ use perl && dobin utilities/xps_exc.pl utilities/se.pl |
601 |
+ dodoc README |
602 |
+ for doc in docs/*; do |
603 |
+ dodoc $doc |
604 |
+ done |
605 |
+ insinto /usr/share/${P} |
606 |
+ doins -r species |
607 |
+ doins -r utilities |
608 |
+ doins -r examples |
609 |
+ doins -r tests |
610 |
+} |