Gentoo Archives: gentoo-commits

From: Horea Christian <horea.christ@×××××.com>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] proj/sci:master commit in: sci-physics/elk/
Date: Mon, 01 Feb 2021 02:57:33
Message-Id: 1612148232.eb9b02cb123bd4e5e20bf9d0e3a783968e325a06.chymera@gentoo
1 commit: eb9b02cb123bd4e5e20bf9d0e3a783968e325a06
2 Author: Horea Christian <chr <AT> chymera <DOT> eu>
3 AuthorDate: Mon Feb 1 02:57:12 2021 +0000
4 Commit: Horea Christian <horea.christ <AT> gmail <DOT> com>
5 CommitDate: Mon Feb 1 02:57:12 2021 +0000
6 URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=eb9b02cb
7
8 sci-physics/elk: dropped broken package with deprecated versions
9
10 Signed-off-by: Horea Christian <chr <AT> chymera.eu>
11
12 sci-physics/elk/elk-1.4.22.ebuild | 110 ------------------------------
13 sci-physics/elk/elk-2.1.25.ebuild | 136 --------------------------------------
14 sci-physics/elk/metadata.xml | 25 -------
15 3 files changed, 271 deletions(-)
16
17 diff --git a/sci-physics/elk/elk-1.4.22.ebuild b/sci-physics/elk/elk-1.4.22.ebuild
18 deleted file mode 100644
19 index daa3d4f53..000000000
20 --- a/sci-physics/elk/elk-1.4.22.ebuild
21 +++ /dev/null
22 @@ -1,110 +0,0 @@
23 -# Copyright 1999-2021 Gentoo Authors
24 -# Distributed under the terms of the GNU General Public License v2
25 -
26 -EAPI=5
27 -
28 -inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs
29 -
30 -DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW)"
31 -HOMEPAGE="http://elk.sourceforge.net/"
32 -SRC_URI="mirror://sourceforge/${PN}/${P}.tgz"
33 -
34 -LICENSE="GPL-3"
35 -SLOT="0"
36 -KEYWORDS="~amd64 ~x86"
37 -
38 -IUSE="-debug lapack libxc mpi openmp perl test"
39 -RESTRICT="!test? ( test )"
40 -
41 -RDEPEND="
42 - lapack? (
43 - virtual/blas
44 - virtual/lapack )
45 - libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] )
46 - mpi? ( virtual/mpi )"
47 -DEPEND="${RDEPEND}
48 - perl? ( dev-lang/perl )
49 - virtual/pkgconfig"
50 -
51 -DOCS=( README )
52 -
53 -FORTRAN_STANDARD=90
54 -
55 -pkg_setup() {
56 - # fortran-2.eclass does not handle mpi wrappers
57 - if use mpi; then
58 - export FC="mpif90"
59 - export F77="mpif77"
60 - export CC="mpicc"
61 - export CXX="mpic++"
62 - else
63 - tc-export FC F77 CC CXX
64 - fi
65 -
66 - use openmp && FORTRAN_NEED_OPENMP=1
67 -
68 - fortran-2_pkg_setup
69 -
70 - use openmp && append-flags -fopenmp
71 -}
72 -
73 -src_prepare() {
74 - rm -rf src/{BLAS,LAPACK} || die
75 - if use libxc; then
76 - sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" || die
77 - fi
78 - if use mpi; then
79 - sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" || die
80 - fi
81 -
82 - sed \
83 - -e "s: -o : ${LDFLAGS} -o :g" \
84 - -i src/{,eos,spacegroup}/Makefile || die
85 -}
86 -
87 -src_configure() {
88 - append-fflags -I/usr/include -I/usr/$(get_libdir)/finclude
89 -
90 - cat > make.inc <<- EOF
91 - MAKE = make
92 - F90 = $(tc-getFC)
93 - F90_OPTS = ${FCFLAGS}
94 - F77 = $(tc-getF77)
95 - F77_OPTS = ${FFLAGS}
96 - CC = $(tc-getCC)
97 - CXX = $(tc-getCXX)
98 - CFLAGS = ${CFLAGS}
99 - CXXFLAGS = ${CXXFLAGS}
100 - LD = $(tc-getLD)
101 - AR = $(tc-getAR)
102 - LIB_SYS =
103 - LIB_LPK = $($(tc-getPKG_CONFIG) --libs lapack)
104 - LIB_FFT = fftlib.a
105 - EOF
106 -
107 - if use libxc; then
108 - echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc
109 - echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc
110 - fi
111 -}
112 -
113 -MAKEOPTS+=" -j1"
114 -
115 -src_compile() {
116 - emake -C src fft
117 - emake -C src elk
118 - emake -C src/eos
119 - emake -C src/spacegroup
120 -}
121 -
122 -src_install() {
123 - dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup
124 - dobin utilities/elk-bands
125 - use perl && dobin utilities/xps_exc.pl utilities/se.pl
126 - dodoc README
127 - for doc in docs/*; do
128 - dodoc $doc
129 - done
130 - insinto /usr/share/${P}
131 - doins -r species utilities examples tests
132 -}
133
134 diff --git a/sci-physics/elk/elk-2.1.25.ebuild b/sci-physics/elk/elk-2.1.25.ebuild
135 deleted file mode 100644
136 index cef46a976..000000000
137 --- a/sci-physics/elk/elk-2.1.25.ebuild
138 +++ /dev/null
139 @@ -1,136 +0,0 @@
140 -# Copyright 1999-2021 Gentoo Authors
141 -# Distributed under the terms of the GNU General Public License v2
142 -
143 -EAPI=5
144 -
145 -PYTHON_COMPAT=( python2_7 )
146 -
147 -inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs python-single-r1
148 -
149 -DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW)"
150 -HOMEPAGE="http://elk.sourceforge.net/"
151 -SRC_URI="mirror://sourceforge/${PN}/${P}.tgz"
152 -
153 -LICENSE="GPL-3"
154 -SLOT="0"
155 -KEYWORDS="~amd64 ~x86"
156 -
157 -IUSE="-debug lapack libxc mpi openmp perl python test"
158 -RESTRICT="!test? ( test )"
159 -
160 -REQUIRED_USE="${PYTHON_REQUIRED_USE}"
161 -
162 -RDEPEND="
163 - lapack? (
164 - virtual/blas
165 - virtual/lapack )
166 - libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] )
167 - perl? ( dev-lang/perl )
168 - python? ( ${PYTHON_DEPS} )
169 - mpi? ( virtual/mpi )"
170 -DEPEND="${RDEPEND}
171 - virtual/pkgconfig"
172 -
173 -DOCS=( README )
174 -
175 -FORTRAN_STANDARD=90
176 -
177 -pkg_setup() {
178 - # fortran-2.eclass does not handle mpi wrappers
179 - if use mpi; then
180 - export FC="mpif90"
181 - export F77="mpif77"
182 - export CC="mpicc"
183 - export CXX="mpic++"
184 - else
185 - tc-export FC F77 CC CXX
186 - fi
187 -
188 - use openmp && FORTRAN_NEED_OPENMP=1
189 -
190 - fortran-2_pkg_setup
191 -
192 - if use openmp; then
193 - # based on _fortran-has-openmp() of fortran-2.eclass
194 - local openmp=""
195 - local fcode=ebuild-openmp-flags.f
196 - local _fc=$(tc-getFC)
197 -
198 - pushd "${T}"
199 - cat <<- EOF > "${fcode}"
200 - 1 call omp_get_num_threads
201 - 2 end
202 - EOF
203 -
204 - for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
205 - "${_fc}" "${openmp}" "${fcode}" -o "${fcode}.x" && break
206 - done
207 -
208 - rm -f "${fcode}.*"
209 - popd
210 -
211 - append-flags "${openmp}"
212 - fi
213 -}
214 -
215 -src_prepare() {
216 - rm -rf src/{BLAS,LAPACK} || die
217 - if use libxc; then
218 - sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" || die
219 - fi
220 - if use mpi; then
221 - sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" || die
222 - fi
223 -
224 - sed \
225 - -e "s: -o : ${LDFLAGS} -o :g" \
226 - -i src/{,eos,spacegroup}/Makefile || die
227 -}
228 -
229 -src_configure() {
230 - append-fflags -I/usr/include
231 -
232 - cat > make.inc <<- EOF
233 - MAKE = make
234 - F90 = $(tc-getFC)
235 - F90_OPTS = ${FCFLAGS}
236 - F77 = $(tc-getF77)
237 - F77_OPTS = ${FFLAGS}
238 - CC = $(tc-getCC)
239 - CXX = $(tc-getCXX)
240 - CFLAGS = ${CFLAGS}
241 - CXXFLAGS = ${CXXFLAGS}
242 - LD = $(tc-getLD)
243 - AR = $(tc-getAR)
244 - LIB_SYS =
245 - LIB_LPK = $($(tc-getPKG_CONFIG) --libs lapack)
246 - LIB_FFT = fftlib.a
247 - EOF
248 -
249 - if use libxc; then
250 - echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc
251 - echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc
252 - fi
253 -}
254 -
255 -MAKEOPTS+=" -j1"
256 -
257 -src_compile() {
258 - emake -C src fft
259 - emake -C src elk
260 - emake -C src/eos
261 - emake -C src/spacegroup
262 -}
263 -
264 -src_install() {
265 - dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup
266 - dobin utilities/elk-bands/elk-bands
267 - use perl && dobin utilities/xps/xps_exc.pl utilities/wien2k-elk/se.pl
268 - use python && dobin utilities/blocks2columns/blocks2columns.py
269 - dodoc README
270 - for doc in docs/*; do
271 - dodoc $doc
272 - done
273 - insinto /usr/share/${P}
274 - doins -r species utilities examples tests
275 -}
276
277 diff --git a/sci-physics/elk/metadata.xml b/sci-physics/elk/metadata.xml
278 deleted file mode 100644
279 index d00045595..000000000
280 --- a/sci-physics/elk/metadata.xml
281 +++ /dev/null
282 @@ -1,25 +0,0 @@
283 -<?xml version="1.0" encoding="UTF-8"?>
284 -<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
285 -<pkgmetadata>
286 - <maintainer type="project">
287 - <email>sci-physics@g.o</email>
288 - <name>Gentoo Physics Project</name>
289 - </maintainer>
290 - <longdescription lang="en">
291 -Elk is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably. The code is freely available under the GNU General Public License.
292 -</longdescription>
293 - <use>
294 - <flag name="libxc">
295 -Use sci-libs/libxc library of exchange-correlation functionals by ETSF.
296 -</flag>
297 - <flag name="perl">
298 -Install perl scripts.
299 -</flag>
300 - <flag name="python">
301 -Install python scripts.
302 -</flag>
303 - </use>
304 - <upstream>
305 - <remote-id type="sourceforge">elk</remote-id>
306 - </upstream>
307 -</pkgmetadata>