From d3fc35858ba4bc0c8038a8c536246b00fe648358 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Mon, 29 Aug 2022 10:46:12 +0100 Subject: gentoo auto-resync : 29:08:2022 - 10:46:12 --- sci-chemistry/Manifest.gz | Bin 10372 -> 10209 bytes sci-chemistry/numbat/Manifest | 4 -- .../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, 121 deletions(-) delete mode 100644 sci-chemistry/numbat/Manifest delete mode 100644 sci-chemistry/numbat/files/numbat-0.999-gnuplot.patch delete mode 100644 sci-chemistry/numbat/metadata.xml delete mode 100644 sci-chemistry/numbat/numbat-0.999-r2.ebuild (limited to 'sci-chemistry') diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz index fbbefa2fce1d..0b685cbb3d24 100644 Binary files a/sci-chemistry/Manifest.gz and b/sci-chemistry/Manifest.gz differ diff --git a/sci-chemistry/numbat/Manifest b/sci-chemistry/numbat/Manifest deleted file mode 100644 index 52761be094e4..000000000000 --- a/sci-chemistry/numbat/Manifest +++ /dev/null @@ -1,4 +0,0 @@ -AUX numbat-0.999-gnuplot.patch 2048 BLAKE2B 662ff2337d8a56ba21d1037911dab787ce3faead57a692310e694be4435875c1c7b66a6b756b28c2a2bd8ee29c29b845b794c6f70720c9f7b31810cd8296a083 SHA512 dd646e8f6652a63cb4e1c97830a755629e45d20fa13431f628b66fe8a5062b7bd7ebacddb3dbcca5aeeac3ae0d89f59c61036c1a3639d25fe0426ada77a888bb -DIST Numbat-0.999.tar.gz 1791471 BLAKE2B 7f6536533fdf6bc3860dc1a7c03ade4896e782c5ecadf1c6a7d70896f4c6ef9f0571796c171012497d7b47b3342c215a5302ed210d7dde3ecdbef170c3f55dbc SHA512 0887f77905bbb476b0d12a7015d5d5745023740acc974ea9cd452de7d38a75a92e6090015127588b38ba62353d38c2be20f57be5df3011b51050c4934dfd206c -EBUILD numbat-0.999-r2.ebuild 1007 BLAKE2B e65d5f9eb640f0f9f87a928b63b61e21f1944f7f57799dd98459749fe503ec5812a8190bed700f2747325220f3a54d935f16200adf5177180ceb11eab5c971a2 SHA512 f9f92be8144897cc537d218a944b88a98c240933153b7d1e2a5ba16e8657fe3cdc8b4dac2eaf33b411c8849e0dfbe6036898b59dc4fc81544041062bd0a29cde -MISC metadata.xml 853 BLAKE2B 2ab072c2f2afc1af3d37ddd39e7cfb38bc2b88b962e30889392add26ce34805262c7cc317a2b22f23550c15916f9ea012f2e65fec31c8a5d62828351e510a00e SHA512 b08a5455fc22e7da72cf7122238356059d12746a18c8704e35de8b4485e3e3c1b6d3fb7601b5c7698494189d7763357fdcd3225c5694d3313b597dfd11c18892 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..000000000000 --- 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,$%d)) t '' with points", name_plot, -+ 6*i+6, 6*i+5, 6*i+6, 6*i+5); - } - fprintf(F, "\n"); - //fprintf(F, "pause 2\n"); diff --git a/sci-chemistry/numbat/metadata.xml b/sci-chemistry/numbat/metadata.xml deleted file mode 100644 index 273753c203e5..000000000000 --- a/sci-chemistry/numbat/metadata.xml +++ /dev/null @@ -1,19 +0,0 @@ - - - - - sci-chemistry@gentoo.org - Gentoo Chemistry Project - - -Numbat is a user friendly software that fits dX-tensor to a set of PCS -measurements and a structure from a PDB file. It has also been designed to -assist in the semi automatic process of PCS assignment. A detailed description -of the software can be found in this publication: - -Christophe Schmitz, Mitchell J. Stanton-Cook, Xun-Cheng Su, Gottfried Otting, -and Thomas Huber (2008). Numbat: an interactive software tool for fitting -Δχ-tensors to molecular coordinates using pseudocontact shifts. Journal of -Biomolecular NMR. 41:179-189. - - diff --git a/sci-chemistry/numbat/numbat-0.999-r2.ebuild b/sci-chemistry/numbat/numbat-0.999-r2.ebuild deleted file mode 100644 index ddfec41ed12b..000000000000 --- a/sci-chemistry/numbat/numbat-0.999-r2.ebuild +++ /dev/null @@ -1,56 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -inherit autotools - -MY_PN="Numbat" -MY_P="${MY_PN}-${PV}" - -DESCRIPTION="New user-friendly method built for automatic dX-tensor determination" -HOMEPAGE="http://www.nmr.chem.uu.nl/~christophe/numbat.html" -SRC_URI="http://comp-bio.anu.edu.au/private/downloads/Numbat/${MY_P}.tar.gz" -S="${WORKDIR}"/${MY_P} - -SLOT="0" -LICENSE="GPL-3" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" - -DEPEND=" - gnome-base/libglade:2.0 - sci-libs/gsl:= - x11-libs/gtk+:2 -" -RDEPEND=" - ${DEPEND} - sci-chemistry/molmol - sci-chemistry/pymol - sci-visualization/gnuplot -" -BDEPEND="virtual/pkgconfig" - -PATCHES=( -# "${FILESDIR}"/${P}-glade.patch - "${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 || die - - emake distclean - eautoreconf -} - -src_install() { - docompress -x /usr/share/doc/${PF} - - default -} -- cgit v1.2.3