Gentoo Archives: gentoo-commits

From: Alexey Shvetsov <alexxy@g.o>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/gromacs/
Date: Fri, 18 Jun 2021 12:35:34
Message-Id: 1624019726.01d2250e0e1ae030ca8f51470e0c0d844452c963.alexxy@gentoo
1 commit: 01d2250e0e1ae030ca8f51470e0c0d844452c963
2 Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
3 AuthorDate: Fri Jun 18 12:35:17 2021 +0000
4 Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
5 CommitDate: Fri Jun 18 12:35:26 2021 +0000
6 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=01d2250e
7
8 sci-chemistry/gromacs: Fix manual use
9
10 Closes: https://bugs.gentoo.org/796497
11 Package-Manager: Portage-3.0.20, Repoman-3.0.3
12 Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org>
13
14 sci-chemistry/gromacs/gromacs-2020.4.ebuild | 6 ++-
15 sci-chemistry/gromacs/gromacs-2020.6.ebuild | 6 ++-
16 sci-chemistry/gromacs/gromacs-2021.2.ebuild | 6 ++-
17 sci-chemistry/gromacs/gromacs-2021.9999.ebuild | 6 ++-
18 sci-chemistry/gromacs/gromacs-9999.ebuild | 61 +++++++++++++++-----------
19 5 files changed, 52 insertions(+), 33 deletions(-)
20
21 diff --git a/sci-chemistry/gromacs/gromacs-2020.4.ebuild b/sci-chemistry/gromacs/gromacs-2020.4.ebuild
22 index 266941a81e3..4a9027a2d18 100644
23 --- a/sci-chemistry/gromacs/gromacs-2020.4.ebuild
24 +++ b/sci-chemistry/gromacs/gromacs-2020.4.ebuild
25 @@ -74,7 +74,7 @@ RDEPEND="${CDEPEND}"
26
27 REQUIRED_USE="
28 || ( single-precision double-precision )
29 - || ( doc build-manual )
30 + doc? ( !build-manual )
31 cuda? ( single-precision )
32 cuda? ( !opencl )
33 mkl? ( !blas !fftw !lapack )
34 @@ -317,7 +317,9 @@ src_install() {
35 fi
36
37 if use doc; then
38 - newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
39 + if [[ ${PV} != *9999* ]]; then
40 + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
41 + fi
42 fi
43
44 use mpi || continue
45
46 diff --git a/sci-chemistry/gromacs/gromacs-2020.6.ebuild b/sci-chemistry/gromacs/gromacs-2020.6.ebuild
47 index 41ac7771497..0e2baeb3b30 100644
48 --- a/sci-chemistry/gromacs/gromacs-2020.6.ebuild
49 +++ b/sci-chemistry/gromacs/gromacs-2020.6.ebuild
50 @@ -74,7 +74,7 @@ RDEPEND="${CDEPEND}"
51
52 REQUIRED_USE="
53 || ( single-precision double-precision )
54 - || ( doc build-manual )
55 + doc? ( !build-manual )
56 cuda? ( single-precision )
57 cuda? ( !opencl )
58 mkl? ( !blas !fftw !lapack )
59 @@ -317,7 +317,9 @@ src_install() {
60 fi
61
62 if use doc; then
63 - newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
64 + if [[ ${PV} != *9999* ]]; then
65 + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
66 + fi
67 fi
68
69 use mpi || continue
70
71 diff --git a/sci-chemistry/gromacs/gromacs-2021.2.ebuild b/sci-chemistry/gromacs/gromacs-2021.2.ebuild
72 index 7b257ee4f40..d3299c25bab 100644
73 --- a/sci-chemistry/gromacs/gromacs-2021.2.ebuild
74 +++ b/sci-chemistry/gromacs/gromacs-2021.2.ebuild
75 @@ -74,7 +74,7 @@ RDEPEND="${CDEPEND}"
76
77 REQUIRED_USE="
78 || ( single-precision double-precision )
79 - || ( doc build-manual )
80 + doc? ( !build-manual )
81 cuda? ( single-precision )
82 cuda? ( !opencl )
83 mkl? ( !blas !fftw !lapack )
84 @@ -324,7 +324,9 @@ src_install() {
85 fi
86
87 if use doc; then
88 - newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
89 + if [[ ${PV} != *9999* ]]; then
90 + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
91 + fi
92 fi
93
94 use mpi || continue
95
96 diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
97 index 16825937690..40f115d6a10 100644
98 --- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
99 +++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
100 @@ -74,7 +74,7 @@ RDEPEND="${CDEPEND}"
101
102 REQUIRED_USE="
103 || ( single-precision double-precision )
104 - || ( doc build-manual )
105 + doc? ( !build-manual )
106 cuda? ( single-precision )
107 cuda? ( !opencl )
108 mkl? ( !blas !fftw !lapack )
109 @@ -319,7 +319,9 @@ src_install() {
110 fi
111
112 if use doc; then
113 - newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
114 + if [[ ${PV} != *9999* ]]; then
115 + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
116 + fi
117 fi
118
119 use mpi || continue
120
121 diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
122 index 19c3097b599..40f115d6a10 100644
123 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild
124 +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
125 @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja"
126
127 PYTHON_COMPAT=( python3_{7,8,9} )
128
129 +DISTUTILS_USE_SETUPTOOLS=no
130 DISTUTILS_SINGLE_IMPL=1
131
132 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
133 @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then
134 else
135 SRC_URI="
136 http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
137 + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
138 test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
139 KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
140 fi
141 @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/"
142 # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib
143 LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
144 SLOT="0/${PV}"
145 -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
146 +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
147
148 CDEPEND="
149 X? (
150 @@ -57,7 +59,7 @@ CDEPEND="
151 "
152 BDEPEND="${CDEPEND}
153 virtual/pkgconfig
154 - doc? (
155 + build-manual? (
156 app-doc/doxygen
157 $(python_gen_cond_dep '
158 dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
159 @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}"
160
161 REQUIRED_USE="
162 || ( single-precision double-precision )
163 + doc? ( !build-manual )
164 cuda? ( single-precision )
165 cuda? ( !opencl )
166 mkl? ( !blas !fftw !lapack )
167 @@ -131,28 +134,29 @@ src_prepare() {
168 fi
169
170 DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
171 -
172 - # try to create policy for imagemagik
173 - mkdir -p ${HOME}/.config/ImageMagick
174 - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
175 - <?xml version="1.0" encoding="UTF-8"?>
176 - <!DOCTYPE policymap [
177 - <!ELEMENT policymap (policy)+>
178 - !ATTLIST policymap xmlns CDATA #FIXED ''>
179 - <!ELEMENT policy EMPTY>
180 - <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
181 + if use build-manual; then
182 + # try to create policy for imagemagik
183 + mkdir -p ${HOME}/.config/ImageMagick
184 + cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
185 + <?xml version="1.0" encoding="UTF-8"?>
186 + <!DOCTYPE policymap [
187 + <!ELEMENT policymap (policy)+>
188 + !ATTLIST policymap xmlns CDATA #FIXED ''>
189 + <!ELEMENT policy EMPTY>
190 + <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
191 name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
192 stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
193 - ]>
194 - <policymap>
195 - <policy domain="coder" rights="read | write" pattern="PS" />
196 - <policy domain="coder" rights="read | write" pattern="PS2" />
197 - <policy domain="coder" rights="read | write" pattern="PS3" />
198 - <policy domain="coder" rights="read | write" pattern="EPS" />
199 - <policy domain="coder" rights="read | write" pattern="PDF" />
200 - <policy domain="coder" rights="read | write" pattern="XPS" />
201 - </policymap>
202 - EOF
203 + ]>
204 + <policymap>
205 + <policy domain="coder" rights="read | write" pattern="PS" />
206 + <policy domain="coder" rights="read | write" pattern="PS2" />
207 + <policy domain="coder" rights="read | write" pattern="PS3" />
208 + <policy domain="coder" rights="read | write" pattern="EPS" />
209 + <policy domain="coder" rights="read | write" pattern="PDF" />
210 + <policy domain="coder" rights="read | write" pattern="XPS" />
211 + </policymap>
212 + EOF
213 + fi
214 }
215
216 src_configure() {
217 @@ -213,7 +217,7 @@ src_configure() {
218 -DGMX_OPENMP=$(usex openmp)
219 -DGMX_COOL_QUOTES=$(usex offensive)
220 -DGMX_USE_TNG=$(usex tng)
221 - -DGMX_BUILD_MANUAL=$(usex doc)
222 + -DGMX_BUILD_MANUAL=$(usex build-manual)
223 -DGMX_HWLOC=$(usex hwloc)
224 -DGMX_DEFAULT_SUFFIX=off
225 -DGMX_SIMD="$acce"
226 @@ -284,7 +288,7 @@ src_compile() {
227 distutils-r1_src_compile
228 fi
229 # not 100% necessary for rel ebuilds as available from website
230 - if use doc; then
231 + if use build-manual; then
232 BUILD_DIR="${WORKDIR}/${P}_${x}"\
233 cmake_src_compile manual
234 fi
235 @@ -310,9 +314,16 @@ src_install() {
236 BUILD_DIR="${WORKDIR}/${P}_${x}" \
237 cmake_src_install python_packaging/install
238 fi
239 - if use doc; then
240 + if use build-manual; then
241 newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
242 fi
243 +
244 + if use doc; then
245 + if [[ ${PV} != *9999* ]]; then
246 + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf"
247 + fi
248 + fi
249 +
250 use mpi || continue
251 BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
252 cmake_src_install