1 |
commit: 98e18f884c5eb090079fa831504e2859c7023300 |
2 |
Author: Christoph Junghans <ottxor <AT> gentoo <DOT> org> |
3 |
AuthorDate: Tue Dec 15 00:24:28 2015 +0000 |
4 |
Commit: Christoph Junghans <ottxor <AT> gentoo <DOT> org> |
5 |
CommitDate: Tue Dec 15 00:24:28 2015 +0000 |
6 |
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=98e18f88 |
7 |
|
8 |
sci-chemistry/gromacs: merge change from 5.1.9999 |
9 |
|
10 |
Package-Manager: portage-2.2.25 |
11 |
|
12 |
sci-chemistry/gromacs/ChangeLog | 3 +++ |
13 |
sci-chemistry/gromacs/gromacs-9999.ebuild | 42 ++++++++++++++++++------------- |
14 |
2 files changed, 28 insertions(+), 17 deletions(-) |
15 |
|
16 |
diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog |
17 |
index 5248d93..2caa2a8 100644 |
18 |
--- a/sci-chemistry/gromacs/ChangeLog |
19 |
+++ b/sci-chemistry/gromacs/ChangeLog |
20 |
@@ -2,6 +2,9 @@ |
21 |
# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 |
22 |
# $Id$ |
23 |
|
24 |
+ 15 Dec 2015; Christoph Junghans <ottxor@g.o> gromacs-9999.ebuild: |
25 |
+ sci-chemistry/gromacs: merge change from 5.1.9999 |
26 |
+ |
27 |
*gromacs-5.1.9999 (20 Aug 2015) |
28 |
|
29 |
20 Aug 2015; Christoph Junghans <ottxor@g.o> +gromacs-5.1.9999.ebuild: |
30 |
|
31 |
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild |
32 |
index 933074f..031dfca 100644 |
33 |
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild |
34 |
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild |
35 |
@@ -4,8 +4,6 @@ |
36 |
|
37 |
EAPI=5 |
38 |
|
39 |
-TEST_PV="5.0-rc1" |
40 |
- |
41 |
CMAKE_MAKEFILE_GENERATOR="ninja" |
42 |
|
43 |
inherit bash-completion-r1 cmake-utils cuda eutils multilib readme.gentoo toolchain-funcs |
44 |
@@ -15,11 +13,13 @@ if [[ $PV = *9999* ]]; then |
45 |
https://gerrit.gromacs.org/gromacs.git |
46 |
git://github.com/gromacs/gromacs.git |
47 |
http://repo.or.cz/r/gromacs.git" |
48 |
- EGIT_BRANCH="master" |
49 |
+ [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:1}-${PV:2:1}" |
50 |
inherit git-r3 |
51 |
+ KEYWORDS="" |
52 |
else |
53 |
SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz |
54 |
- test? ( http://gerrit.gromacs.org/download/regressiontests-${TEST_PV}.tar.gz )" |
55 |
+ test? ( http://gerrit.gromacs.org/download/regressiontests-${PV}.tar.gz )" |
56 |
+ KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" |
57 |
fi |
58 |
|
59 |
ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" |
60 |
@@ -32,8 +32,7 @@ HOMEPAGE="http://www.gromacs.org/" |
61 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
62 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
63 |
SLOT="0/${PV}" |
64 |
-KEYWORDS="" |
65 |
-IUSE="X blas boost cuda +doc -double-precision +fftw lapack +make-symlinks mkl mpi +offensive openmp +single-precision test +threads +tng ${ACCE_IUSE}" |
66 |
+IUSE="X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive openmp +single-precision test +threads +tng ${ACCE_IUSE}" |
67 |
|
68 |
CDEPEND=" |
69 |
X? ( |
70 |
@@ -83,8 +82,8 @@ src_unpack() { |
71 |
git-r3_src_unpack |
72 |
if use test; then |
73 |
EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \ |
74 |
- EGIT_BRANCH="master" EGIT_NOUNPACK="yes" EGIT_COMMIT="master" \ |
75 |
- EGIT_SOURCEDIR="${WORKDIR}/regressiontests"\ |
76 |
+ EGIT_BRANCH="${EGIT_BRANCH}" \ |
77 |
+ EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\ |
78 |
git-r3_src_unpack |
79 |
fi |
80 |
fi |
81 |
@@ -154,7 +153,6 @@ src_configure() { |
82 |
$(cmake-utils_use boost GMX_EXTERNAL_BOOST) |
83 |
$(cmake-utils_use tng GMX_USE_TNG) |
84 |
$(cmake-utils_use doc GMX_BUILD_MANUAL) |
85 |
- $(cmake-utils_use make-symlinks GMX_SYMLINK_OLD_BINARY_NAMES) |
86 |
-DGMX_DEFAULT_SUFFIX=off |
87 |
-DGMX_SIMD="$acce" |
88 |
-DGMX_LIB_INSTALL_DIR="$(get_libdir)" |
89 |
@@ -188,6 +186,8 @@ src_configure() { |
90 |
-DGMX_LIBS_SUFFIX="${suffix}" |
91 |
) |
92 |
BUILD_DIR="${WORKDIR}/${P}_${x}" cmake-utils_src_configure |
93 |
+ [[ ${CHOST} != *-darwin* ]] || \ |
94 |
+ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die |
95 |
use mpi || continue |
96 |
einfo "Configuring for ${x} precision with mpi" |
97 |
mycmakeargs=( |
98 |
@@ -202,6 +202,8 @@ src_configure() { |
99 |
-DGMX_LIBS_SUFFIX="_mpi${suffix}" |
100 |
) |
101 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake-utils_src_configure |
102 |
+ [[ ${CHOST} != *-darwin* ]] || \ |
103 |
+ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die |
104 |
done |
105 |
} |
106 |
|
107 |
@@ -210,9 +212,7 @@ src_compile() { |
108 |
einfo "Compiling for ${x} precision" |
109 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
110 |
cmake-utils_src_compile |
111 |
- # generate bash completion |
112 |
- BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
113 |
- cmake-utils_src_compile completion |
114 |
+ # not 100% necessary for rel ebuilds as available from website |
115 |
if use doc; then |
116 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
117 |
cmake-utils_src_compile manual |
118 |
@@ -238,16 +238,24 @@ src_install() { |
119 |
if use doc; then |
120 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
121 |
fi |
122 |
- newbashcomp "${WORKDIR}/${P}_${x}"/src/programs/completion/gmx-completion.bash gromacs |
123 |
use mpi || continue |
124 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
125 |
cmake-utils_src_install |
126 |
done |
127 |
- # drop unneeded stuff |
128 |
- rm -f "${ED}"usr/bin/gmx-completion* |
129 |
- rm -f "${ED}"usr/bin/g_options* |
130 |
- rm -f "${ED}"usr/bin/GMXRC* |
131 |
|
132 |
+ if use tng; then |
133 |
+ insinto /usr/include/tng |
134 |
+ doins src/external/tng_io/include/tng/*h |
135 |
+ fi |
136 |
+ # drop unneeded stuff |
137 |
+ rm "${ED}"usr/bin/GMXRC* || die |
138 |
+ for x in "${ED}"usr/bin/gmx-completion-*.bash ; do |
139 |
+ local n=${x##*/gmx-completion-} |
140 |
+ n="${n%.bash}" |
141 |
+ cat "${ED}"usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die |
142 |
+ newbashcomp "${T}"/"${n}" "${n}" |
143 |
+ done |
144 |
+ rm "${ED}"usr/bin/gmx-completion*.bash || die |
145 |
readme.gentoo_create_doc |
146 |
} |