From e08f01a804c1bb27096696db1db8e1cb124f3f7a Mon Sep 17 00:00:00 2001 From: Justin Lecher Date: Fri, 22 Nov 2013 13:38:23 +0000 Subject: sci-chemistry/pymol-apbs-plugin: Version BUmp, add fix for tcltk8.6 support (Portage version: 2.2.7/cvs/Linux x86_64, RepoMan options: --force, signed Manifest commit with key B9D4F231BD1558AB!) --- sci-chemistry/pymol-apbs-plugin/ChangeLog | 9 +- .../files/pymol-apbs-plugin-2.1_p26-tcltk8.6.patch | 176 +++++++++++++++++++++ sci-chemistry/pymol-apbs-plugin/metadata.xml | 8 +- .../pymol-apbs-plugin-2.1_p26.ebuild | 56 +++++++ 4 files changed, 244 insertions(+), 5 deletions(-) create mode 100644 sci-chemistry/pymol-apbs-plugin/files/pymol-apbs-plugin-2.1_p26-tcltk8.6.patch create mode 100644 sci-chemistry/pymol-apbs-plugin/pymol-apbs-plugin-2.1_p26.ebuild (limited to 'sci-chemistry') diff --git a/sci-chemistry/pymol-apbs-plugin/ChangeLog b/sci-chemistry/pymol-apbs-plugin/ChangeLog index 85d5d5f5aeeb..22e760800473 100644 --- a/sci-chemistry/pymol-apbs-plugin/ChangeLog +++ b/sci-chemistry/pymol-apbs-plugin/ChangeLog @@ -1,6 +1,13 @@ # ChangeLog for sci-chemistry/pymol-apbs-plugin # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pymol-apbs-plugin/ChangeLog,v 1.10 2013/06/19 04:19:46 bicatali Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pymol-apbs-plugin/ChangeLog,v 1.11 2013/11/22 13:38:23 jlec Exp $ + +*pymol-apbs-plugin-2.1_p26 (22 Nov 2013) + + 22 Nov 2013; Justin Lecher + +pymol-apbs-plugin-2.1_p26.ebuild, + +files/pymol-apbs-plugin-2.1_p26-tcltk8.6.patch, metadata.xml: + Version BUmp, add fix for tcltk8.6 support 19 Jun 2013; Sébastien Fabbro metadata.xml: Changed herd to sci-chemistry diff --git a/sci-chemistry/pymol-apbs-plugin/files/pymol-apbs-plugin-2.1_p26-tcltk8.6.patch b/sci-chemistry/pymol-apbs-plugin/files/pymol-apbs-plugin-2.1_p26-tcltk8.6.patch new file mode 100644 index 000000000000..c3675cf4c0d0 --- /dev/null +++ b/sci-chemistry/pymol-apbs-plugin/files/pymol-apbs-plugin-2.1_p26-tcltk8.6.patch @@ -0,0 +1,176 @@ +--- pymol-apbs-plugin-2.1_p26.py.orig 2013-08-16 20:29:27.000000000 -0400 ++++ pymol-apbs-plugin-2.1_p26.py 2013-08-16 20:31:35.000000000 -0400 +@@ -560,7 +560,8 @@ + # Set up the Main page + page = self.notebook.add('Main') + group = Pmw.Group(page,tag_text='Main options') +- group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ group.grid(padx = 10, pady = 5, sticky=(N, S, E, W)) + self.selection = Pmw.EntryField(group.interior(), + labelpos='w', + label_text='Selection to use: ', +@@ -606,7 +607,8 @@ + page = self.notebook.add('Configuration') + + group = Pmw.Group(page,tag_text='Dielectric Constants') +- group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + group.grid(column=0, row=0) + self.interior_dielectric = Pmw.EntryField(group.interior(),labelpos='w', + label_text = 'Protein Dielectric:', +@@ -625,7 +627,8 @@ + #entry.pack(side='left',fill='both',expand=1,padx=4) # side-by-side + entry.pack(fill='x',expand=1,padx=4,pady=1) # vertical + group = Pmw.Group(page,tag_text='Other') +- group.pack(fill='both',expand=1, padx=4, pady=5) ++ #group.pack(fill='both',expand=1, padx=4, pady=5) ++ group.grid(padx=4, pady=5, sticky=(N, S, E, W)) + group.grid(column=1, row=1,columnspan=4) + self.max_mem_allowed = Pmw.EntryField(group.interior(),labelpos='w', + label_text = 'Maximum Memory Allowed (MB):', +@@ -683,7 +686,8 @@ + + + group = Pmw.Group(page,tag_text='Ions') +- group.pack(fill='both',expand=1, padx=4, pady=5) ++ #group.pack(fill='both',expand=1, padx=4, pady=5) ++ group.grid(padx=4, pady=5, sticky=(N, S, E, W)) + group.grid(column=0, row=1, ) + self.ion_plus_one_conc = Pmw.EntryField(group.interior(), + labelpos='w', +@@ -742,7 +746,8 @@ + entry.pack(fill='x',expand=1,padx=4) + + group = Pmw.Group(page,tag_text = 'Coarse Mesh Length') +- group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + group.grid(column = 1, row = 0) + for coord in 'x y z'.split(): + setattr(self,'grid_coarse_%s'%coord,Pmw.EntryField(group.interior(), +@@ -757,7 +762,8 @@ + + + group = Pmw.Group(page,tag_text = 'Fine Mesh Length') +- group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + group.grid(column = 2, row = 0) + for coord in 'x y z'.split(): + setattr(self,'grid_fine_%s'%coord,Pmw.EntryField(group.interior(), +@@ -772,7 +778,8 @@ + + + group = Pmw.Group(page,tag_text = 'Grid Center') +- group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + group.grid(column = 3, row = 0) + for coord in 'x y z'.split(): + setattr(self,'grid_center_%s'%coord,Pmw.EntryField(group.interior(), +@@ -786,7 +793,8 @@ + getattr(self,'grid_center_%s'%coord).pack(fill='x', expand=1, padx=4, pady=1) + + group = Pmw.Group(page,tag_text = 'Grid Points') +- group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 4, pady = 5) ++ group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + group.grid(column = 4, row = 0) + for coord in 'x y z'.split(): + setattr(self,'grid_points_%s'%coord,Pmw.EntryField(group.interior(), +@@ -804,7 +812,8 @@ + page.grid_columnconfigure(5,weight=1) + page = self.notebook.add('Program Locations') + group = Pmw.Group(page,tag_text='Locations') +- group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ group.grid(padx = 10, pady = 5, sticky=(N, S, E, W)) + def quickFileValidation(s): + if s == '': return Pmw.PARTIAL + elif os.path.isfile(s): return Pmw.OK +@@ -867,7 +876,8 @@ + + page = self.notebook.add('Temp File Locations') + group = Pmw.Group(page,tag_text='Locations') +- group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ group.grid(padx = 10, pady = 5, sticky=(N, S, E, W)) + self.pymol_generated_pqr_filename = Pmw.EntryField(group.interior(), + labelpos = 'w', + label_pyclass = FileDialogButtonClassFactory.get(self.setPymolGeneratedPqrFilename), +@@ -915,17 +925,20 @@ + page = self.notebook.add('Visualization (1)') + group = VisualizationGroup(page,tag_text='Visualization',visgroup_num=1) + self.visualization_group_1 = group +- group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ group.grid(padx = 10, pady = 5, sticky=(N, S, E, W)) + + page = self.notebook.add('Visualization (2)') + group = VisualizationGroup(page,tag_text='Visualization',visgroup_num=2) + self.visualization_group_2 = group +- group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ group.grid(padx = 10, pady = 5, sticky=(N, S, E, W)) + + # Create a couple of other empty pages + page = self.notebook.add('About') + group = Pmw.Group(page, tag_text='About PyMOL APBS Tools') +- group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ #group.pack(fill = 'both', expand = 1, padx = 10, pady = 5) ++ group.grid(padx = 10, pady = 5, sticky=(N, S, E, W)) + text = """This plugin integrates PyMOL (http://PyMOL.org/) with APBS (http://www.poissonboltzmann.org/apbs/). + + Documentation may be found at +@@ -2158,7 +2171,8 @@ + self.update_buttonbox = Pmw.ButtonBox(self.mm_group.interior(), padx=0) + self.update_buttonbox.pack(side=LEFT) + self.update_buttonbox.add('Update',command=self.refresh) +- self.mm_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=TOP) ++ #self.mm_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=TOP) ++ self.mm_group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + + self.ms_group = Pmw.Group(self.interior(),tag_text='Molecular Surface') + self.ms_buttonbox = Pmw.ButtonBox(self.ms_group.interior(), padx=0) +@@ -2209,7 +2223,8 @@ + bars = (self.mol_surf_low,self.mol_surf_middle,self.mol_surf_high) + Pmw.alignlabels(bars) + for bar in bars: bar.pack(side=LEFT) +- self.ms_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=LEFT) ++ #self.ms_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=LEFT) ++ self.ms_group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + + self.fl_group = Pmw.Group(self.interior(),tag_text='Field Lines') + self.fl_buttonbox = Pmw.ButtonBox(self.fl_group.interior(), padx=0) +@@ -2224,7 +2239,8 @@ + text = """Follows same coloring as surface.""", + ) + label.pack() +- self.fl_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=TOP) ++ #self.fl_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=TOP) ++ self.fl_group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + + self.pi_group = Pmw.Group(self.interior(),tag_text='Positive Isosurface') + self.pi_buttonbox = Pmw.ButtonBox(self.pi_group.interior(), padx=0) +@@ -2243,7 +2259,8 @@ + entryfield_validate = {'validator' : 'real', 'min':0} + ) + self.pos_surf_val.pack(side=LEFT) +- self.pi_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=LEFT) ++ #self.pi_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=LEFT) ++ self.pi_group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + + self.ni_group = Pmw.Group(self.interior(),tag_text='Negative Isosurface') + self.ni_buttonbox = Pmw.ButtonBox(self.ni_group.interior(), padx=0) +@@ -2262,7 +2279,8 @@ + entryfield_validate = {'validator' : 'real', 'max':0} + ) + self.neg_surf_val.pack(side=LEFT) +- self.ni_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=LEFT) ++ #self.ni_group.pack(fill = 'both', expand = 1, padx = 4, pady = 5, side=LEFT) ++ self.ni_group.grid(padx = 4, pady = 5, sticky=(N, S, E, W)) + + + diff --git a/sci-chemistry/pymol-apbs-plugin/metadata.xml b/sci-chemistry/pymol-apbs-plugin/metadata.xml index dde7ca88a50f..ae9ec7c5f6a4 100644 --- a/sci-chemistry/pymol-apbs-plugin/metadata.xml +++ b/sci-chemistry/pymol-apbs-plugin/metadata.xml @@ -1,8 +1,8 @@ -sci-chemistry - - jlec@gentoo.org - + sci-chemistry + + jlec@gentoo.org + diff --git a/sci-chemistry/pymol-apbs-plugin/pymol-apbs-plugin-2.1_p26.ebuild b/sci-chemistry/pymol-apbs-plugin/pymol-apbs-plugin-2.1_p26.ebuild new file mode 100644 index 000000000000..142666b98ae0 --- /dev/null +++ b/sci-chemistry/pymol-apbs-plugin/pymol-apbs-plugin-2.1_p26.ebuild @@ -0,0 +1,56 @@ +# Copyright 1999-2013 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pymol-apbs-plugin/pymol-apbs-plugin-2.1_p26.ebuild,v 1.1 2013/11/22 13:38:23 jlec Exp $ + +EAPI=5 + +PYTHON_COMPAT=( python{2_6,2_7} ) + +inherit eutils python-r1 + +MY_PV="${PV##*_p}" + +DESCRIPTION="APBS plugin for pymol" +HOMEPAGE="http://sourceforge.net/projects/pymolapbsplugin/" +SRC_URI="http://sourceforge.net/p/pymolapbsplugin/code/${MY_PV}/tree/trunk/src/apbsplugin.py?format=raw -> ${P}.py" + +SLOT="0" +KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux" +LICENSE="pymol" +IUSE="" + +REQUIRED_USE="${PYTHON_REQUIRED_USE}" + +RDEPEND=" + ${PYTHON_DEPS} + sci-chemistry/apbs + sci-chemistry/pdb2pqr + ! apbs_tools.py + + python_moduleinto pmg_tk/startup + python_domodule apbs_tools.py || die + python_optimize + } + python_parallel_foreach_impl installation +} -- cgit v1.2.3-65-gdbad