[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/numbat/files/, sci-chemistry/numbat/, profiles/

2022-08-29 Thread Jakov Smolić
commit: 5f26b5938812d41ebfd3712a9c59ba8a49f13d1b
Author: Jakov Smolić  gentoo  org>
AuthorDate: Mon Aug 29 08:06:35 2022 +
Commit: Jakov Smolić  gentoo  org>
CommitDate: Mon Aug 29 08:07:22 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5f26b593

sci-chemistry/numbat: treeclean

Closes: https://bugs.gentoo.org/862486
Closes: https://bugs.gentoo.org/583038
Signed-off-by: Jakov Smolić  gentoo.org>

 profiles/package.mask  |  5 --
 sci-chemistry/numbat/Manifest  |  1 -
 .../numbat/files/numbat-0.999-gnuplot.patch| 42 
 sci-chemistry/numbat/metadata.xml  | 19 
 sci-chemistry/numbat/numbat-0.999-r2.ebuild| 56 --
 5 files changed, 123 deletions(-)

diff --git a/profiles/package.mask b/profiles/package.mask
index 802fbdab5660..e081bb867239 100644
--- a/profiles/package.mask
+++ b/profiles/package.mask
@@ -291,11 +291,6 @@ dev-qt/qtwebsockets:6
 # Removal in 30 days (Bug #)
  (2022-07-31)
-# No updates since 2010, dead homepage, and incompatible with newer
-# sci-libs/gsl. Bug #862486. Removal on 2022-08-31.
-sci-chemistry/numbat
-
 # Marek Szuba  (2022-07-13)
 # Upstream has switched from CMake to hand-crafted Makefiles (yes, TO them),
 # which have seriously messed up dependency handling and trigger several

diff --git a/sci-chemistry/numbat/Manifest b/sci-chemistry/numbat/Manifest
deleted file mode 100644
index 961584beeaaa..
--- a/sci-chemistry/numbat/Manifest
+++ /dev/null
@@ -1 +0,0 @@
-DIST Numbat-0.999.tar.gz 1791471 BLAKE2B 
7f6536533fdf6bc3860dc1a7c03ade4896e782c5ecadf1c6a7d70896f4c6ef9f0571796c171012497d7b47b3342c215a5302ed210d7dde3ecdbef170c3f55dbc
 SHA512 
0887f77905bbb476b0d12a7015d5d5745023740acc974ea9cd452de7d38a75a92e6090015127588b38ba62353d38c2be20f57be5df3011b51050c4934dfd206c

diff --git a/sci-chemistry/numbat/files/numbat-0.999-gnuplot.patch 
b/sci-chemistry/numbat/files/numbat-0.999-gnuplot.patch
deleted file mode 100644
index 942f5871e50b..
--- a/sci-chemistry/numbat/files/numbat-0.999-gnuplot.patch
+++ /dev/null
@@ -1,42 +0,0 @@
- src/error_analysis.c | 20 ++--
- 1 file changed, 10 insertions(+), 10 deletions(-)
-
-diff --git a/src/error_analysis.c b/src/error_analysis.c
-index eb86a6f..c0edf5f 100644
 a/src/error_analysis.c
-+++ b/src/error_analysis.c
-@@ -848,11 +848,11 @@ void write_sanson_mac(FILE * F, char * name_plot, char * 
name_world, int number_
- }
- 
- fprintf(F, "reset\n");
--fprintf(F, "set noxtics\n");
--fprintf(F, "set noytics\n");
-+fprintf(F, "unset xtics\n");
-+fprintf(F, "unset ytics\n");
- fprintf(F, "set angles degrees\n");
--fprintf(F, "set nogrid\n");
--fprintf(F, "set noborder\n");
-+fprintf(F, "unset grid\n");
-+fprintf(F, "unset border\n");
- //fprintf(F, "width=40\n");
- //fprintf(F, "height=width*(3./4.)\n");
- //fprintf(F, "set xrange [-width : width]\n");
-@@ -867,12 +867,12 @@ void write_sanson_mac(FILE * F, char * name_plot, char * 
name_world, int number_
- fprintf(F, "YC(lat,lon)=(lon-long0)*cos(lat)\n");
- fprintf(F, "plot '%s'  using (YC($2,$1)):(XC($2,$1)) t '' with lines lw 
0.1 lt -1", name_world);
- for(i = 0; i < number_of_tensor; i++){
--fprintf(F, ", '%s' using (YC($%d,$%d)):(XC($%d,$%d)) t '' with points 
%d", name_plot,
--6*i+2, 6*i+1, 6*i+2, 6*i+1, 3*i+1);
--fprintf(F, ", '%s' using (YC($%d,$%d)):(XC($%d,$%d)) t '' with points 
%d", name_plot,
--6*i+4, 6*i+3, 6*i+4, 6*i+3, 3*i+2);
--fprintf(F, ", '%s' using (YC($%d,$%d)):(XC($%d,$%d)) t '' with points 
%d", name_plot,
--6*i+6, 6*i+5, 6*i+6, 6*i+5, 3*i+3);
-+fprintf(F, ", '%s' using (YC($%d,$%d)):(XC($%d,$%d)) t '' with 
points", name_plot,
-+6*i+2, 6*i+1, 6*i+2, 6*i+1);
-+fprintf(F, ", '%s' using (YC($%d,$%d)):(XC($%d,$%d)) t '' with 
points", name_plot,
-+6*i+4, 6*i+3, 6*i+4, 6*i+3);
-+fprintf(F, ", '%s' using (YC($%d,$%d)):(XC($%d,$%d)) t '' with 
points", name_plot,
-+6*i+6, 6*i+5, 6*i+6, 6*i+5);
- }
- fprintf(F, "\n");
- //fprintf(F, "pause 2\n");

diff --git a/sci-chemistry/numbat/metadata.xml 
b/sci-chemistry/numbat/metadata.xml
deleted file mode 100644
index 273753c203e5..
--- a/sci-chemistry/numbat/metadata.xml
+++ /dev/null
@@ -1,19 +0,0 @@
-
-https://www.gentoo.org/dtd/metadata.dtd;>
-
-  
-sci-chemis...@gentoo.org
-Gentoo Chemistry Project
-  
-  
-Numbat is a user friendly software that fits dX-tensor to a set of PCS 
-measurements and a structure from a PDB file. It has also been designed to 
-assist in the semi automatic process of PCS assignment. A detailed description 
-of the software can be found in this publication: 
-
-Christophe Schmitz, Mitchell J. Stanton-Cook, Xun-Cheng Su, Gottfried Otting, 
-and Thomas Huber (2008). 

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/numbat/

2021-06-02 Thread Sam James
commit: 35d733102ad34e14a41ab0d995d67db4288a1860
Author: Sam James  gentoo  org>
AuthorDate: Wed Jun  2 21:26:01 2021 +
Commit: Sam James  gentoo  org>
CommitDate: Wed Jun  2 21:50:27 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=35d73310

sci-chemistry/numbat: subscribe to sci-libs/gsl subslot

Signed-off-by: Sam James  gentoo.org>

 sci-chemistry/numbat/{numbat-0.999-r1.ebuild => numbat-0.999-r2.ebuild} | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/numbat/numbat-0.999-r1.ebuild 
b/sci-chemistry/numbat/numbat-0.999-r2.ebuild
similarity index 98%
rename from sci-chemistry/numbat/numbat-0.999-r1.ebuild
rename to sci-chemistry/numbat/numbat-0.999-r2.ebuild
index 766c64b1b9c..ddfec41ed12 100644
--- a/sci-chemistry/numbat/numbat-0.999-r1.ebuild
+++ b/sci-chemistry/numbat/numbat-0.999-r2.ebuild
@@ -19,7 +19,7 @@ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
 
 DEPEND="
gnome-base/libglade:2.0
-   sci-libs/gsl
+   sci-libs/gsl:=
x11-libs/gtk+:2
 "
 RDEPEND="



[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/numbat/

2021-03-27 Thread Sam James
commit: 68a82908d3282885a11131b8609a7f7ac2438bc2
Author: Sam James  gentoo  org>
AuthorDate: Sun Mar 28 00:38:17 2021 +
Commit: Sam James  gentoo  org>
CommitDate: Sun Mar 28 01:13:50 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=68a82908

sci-chemistry/numbat: port to EAPI 7

* Port to EAPI 7
* Drop autotools-utils.eclass

Still doesn't seem to build with newer gsl(?)
but this unblocks autotools-utils removal anyway.

Bug: https://bugs.gentoo.org/583038
Signed-off-by: Sam James  gentoo.org>

 sci-chemistry/numbat/numbat-0.999-r1.ebuild | 42 -
 1 file changed, 23 insertions(+), 19 deletions(-)

diff --git a/sci-chemistry/numbat/numbat-0.999-r1.ebuild 
b/sci-chemistry/numbat/numbat-0.999-r1.ebuild
index 66f5b2ae065..766c64b1b9c 100644
--- a/sci-chemistry/numbat/numbat-0.999-r1.ebuild
+++ b/sci-chemistry/numbat/numbat-0.999-r1.ebuild
@@ -1,52 +1,56 @@
-# Copyright 1999-2013 Gentoo Foundation
+# Copyright 1999-2021 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
-EAPI=5
+EAPI=7
 
-AUTOTOOLS_AUTORECONF=true
-
-inherit autotools-utils
+inherit autotools
 
 MY_PN="Numbat"
 MY_P="${MY_PN}-${PV}"
 
-DESCRIPTION="new user-friendly method built for automatic dX-tensor 
determination"
+DESCRIPTION="New user-friendly method built for automatic dX-tensor 
determination"
 HOMEPAGE="http://www.nmr.chem.uu.nl/~christophe/numbat.html;
 SRC_URI="http://comp-bio.anu.edu.au/private/downloads/Numbat/${MY_P}.tar.gz;
+S="${WORKDIR}"/${MY_P}
 
 SLOT="0"
 LICENSE="GPL-3"
 KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE=""
 
-CDEPEND="
+DEPEND="
gnome-base/libglade:2.0
sci-libs/gsl
-   x11-libs/gtk+:2"
-DEPEND="${CDEPEND}
-   virtual/pkgconfig"
-RDEPEND="${CDEPEND}
+   x11-libs/gtk+:2
+"
+RDEPEND="
+   ${DEPEND}
sci-chemistry/molmol
sci-chemistry/pymol
-   sci-visualization/gnuplot"
-
-S="${WORKDIR}"/${MY_P}
+   sci-visualization/gnuplot
+"
+BDEPEND="virtual/pkgconfig"
 
 PATCHES=(
 #  "${FILESDIR}"/${P}-glade.patch
-   "${FILESDIR}"/${P}-gnuplot.patch )
+   "${FILESDIR}"/${P}-gnuplot.patch
+)
 
 src_prepare() {
+   default
+
sed \
-e '/COPYING/d' \
-e "s:doc/numbat:share/doc/${PF}:g" \
-i Makefile.am src/common.h || die
-   rm missing
+
+   rm missing || die
+
emake distclean
-   autotools-utils_src_prepare
+   eautoreconf
 }
 
 src_install() {
docompress -x /usr/share/doc/${PF}
-   autotools-utils_src_install
+
+   default
 }