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author | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 13:49:04 -0700 |
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committer | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 17:38:18 -0700 |
commit | 56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch) | |
tree | 3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/pymol-plugins-msms | |
download | gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.gz gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.bz2 gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.zip |
proj/gentoo: Initial commit
This commit represents a new era for Gentoo:
Storing the gentoo-x86 tree in Git, as converted from CVS.
This commit is the start of the NEW history.
Any historical data is intended to be grafted onto this point.
Creation process:
1. Take final CVS checkout snapshot
2. Remove ALL ChangeLog* files
3. Transform all Manifests to thin
4. Remove empty Manifests
5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$
5.1. Do not touch files with -kb/-ko keyword flags.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests
X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project
X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration
X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn
X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts
X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration
X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging
X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/pymol-plugins-msms')
5 files changed, 147 insertions, 0 deletions
diff --git a/sci-chemistry/pymol-plugins-msms/Manifest b/sci-chemistry/pymol-plugins-msms/Manifest new file mode 100644 index 000000000000..d4d6fb620908 --- /dev/null +++ b/sci-chemistry/pymol-plugins-msms/Manifest @@ -0,0 +1 @@ +DIST pymol-plugins-msms-100415.py 62320 SHA256 1452acdcf8b13f5af22da563d44d51aca9f8fdd108dd7a0548ec41941cb463a5 SHA512 924d89836f92d0be52d7534cbe6dc9338dac1c2263a51900ab62dbe96e4f54f565dbaa6bdf51236d8ea8e9042aa09283a117f5285561b252177a5a32f3876489 WHIRLPOOL c5889b3543ac554083b76c38bb53fad1f001bd46f6686b0cdc36c1a7e576de3dc9a9bba0b459e0d928e30aec21ab09b98a0a8eb128fa64fc5b4228ca9ad7c0e4 diff --git a/sci-chemistry/pymol-plugins-msms/files/100415-msms.patch b/sci-chemistry/pymol-plugins-msms/files/100415-msms.patch new file mode 100644 index 000000000000..0d26fb31c5f1 --- /dev/null +++ b/sci-chemistry/pymol-plugins-msms/files/100415-msms.patch @@ -0,0 +1,33 @@ + pymol-plugins-msms-100415.py | 18 ++++++++++-------- + 1 files changed, 10 insertions(+), 8 deletions(-) + +diff --git a/pymol-plugins-msms-100415.py b/pymol-plugins-msms-100415.py +index 725934d..7ea00bf 100644 +--- a/pymol-plugins-msms-100415.py ++++ b/pymol-plugins-msms-100415.py +@@ -99,15 +99,17 @@ class MSMSPlugin: + self.cleanup_saved_pymol_sel.set(True) # by default, clean up + + self.pdb_fn.set('') +- if 'MSMS_BIN' in os.environ: +- if VERBOSE: print 'Found MSMS_BIN in environmental variables', os.environ['MSMS_BIN'] +- self.msms_bin.set(os.environ['MSMS_BIN']) +- else: +- if VERBOSE: print 'MSMS_BIN not found in environmental variables.' +- self.msms_bin.set('') ++ self.msms_bin.set('GENTOOMSMS') ++## if 'MSMS_BIN' in os.environ: ++## if VERBOSE: print 'Found MSMS_BIN in environmental variables', os.environ['MSMS_BIN'] ++## self.msms_bin.set(os.environ['MSMS_BIN']) ++## else: ++## if VERBOSE: print 'MSMS_BIN not found in environmental variables.' ++## self.msms_bin.set('') + ## self.pdb2xyzr_bin.set('') +- if 'PDB2XYZRN' in os.environ: self.pdb2xyzrn_bin.set(os.environ['PDB2XYZRN']) +- else: self.pdb2xyzrn_bin.set('') ++ self.pdb2xyzrn_bin.set('GENTOOXYZRN') ++## if 'PDB2XYZRN' in os.environ: self.pdb2xyzrn_bin.set(os.environ['PDB2XYZRN']) ++## else: self.pdb2xyzrn_bin.set('') + self.tmp_dir.set('/tmp') + self.cleanup_msms_output = Tkinter.BooleanVar() + self.cleanup_msms_output.set(True) # by default, clean up msms output diff --git a/sci-chemistry/pymol-plugins-msms/metadata.xml b/sci-chemistry/pymol-plugins-msms/metadata.xml new file mode 100644 index 000000000000..c6f92c968349 --- /dev/null +++ b/sci-chemistry/pymol-plugins-msms/metadata.xml @@ -0,0 +1,17 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <herd>sci-chemistry</herd> + <maintainer> + <email>jlec@gentoo.org</email> + </maintainer> + <longdescription> +MSMS is an excellent tool for computing protein solvent excluded surface (SES). +MSMS Plugin for PyMOL provides a graphical user interface for running MSMS and +displaying its results in PyMOL. + +1. Citation for this plugin: + Hongbo Zhu. MSMS plugin for PyMOL, 2010, Biotechnology Center (BIOTEC), TU Dresden. +2. Citation for PyMOL can be found at: http://pymol.sourceforge.net/faq.html#CITE +</longdescription> +</pkgmetadata> diff --git a/sci-chemistry/pymol-plugins-msms/pymol-plugins-msms-100415-r1.ebuild b/sci-chemistry/pymol-plugins-msms/pymol-plugins-msms-100415-r1.ebuild new file mode 100644 index 000000000000..d90a27f98ca8 --- /dev/null +++ b/sci-chemistry/pymol-plugins-msms/pymol-plugins-msms-100415-r1.ebuild @@ -0,0 +1,42 @@ +# Copyright 1999-2013 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +PYTHON_COMPAT=( python2_7 ) + +inherit eutils python-r1 + +DESCRIPTION="GUI for MSMS and displaying its results in PyMOL" +HOMEPAGE="http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/msms_pymol.html" +SRC_URI="http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/pymol_script/msms_pymol.py -> ${P}.py" + +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +LICENSE="BSD pymol" +IUSE="" + +RDEPEND=" + sci-chemistry/msms-bin + sci-chemistry/pymol[${PYTHON_USEDEP}]" +DEPEND="${RDEPEND}" + +src_unpack() { + mkdir "${S}" || die + cp "${DISTDIR}"/${A} "${S}/" || die +} + +src_prepare() { + epatch "${FILESDIR}"/${PV}-msms.patch + sed \ + -e "s:GENTOOMSMS:${EPREFIX}/opt/bin/msms:g" \ + -e "s:GENTOOXYZRN:${EPREFIX}/usr/bin/pdb_to_xyzrn:g" \ + -i ${A} || die +} + +src_install() { + python_moduleinto pmg_tk/startup + python_parallel_foreach_impl python_domodule ${P}.py + python_parallel_foreach_impl python_optimize +} diff --git a/sci-chemistry/pymol-plugins-msms/pymol-plugins-msms-100415.ebuild b/sci-chemistry/pymol-plugins-msms/pymol-plugins-msms-100415.ebuild new file mode 100644 index 000000000000..e226003f8560 --- /dev/null +++ b/sci-chemistry/pymol-plugins-msms/pymol-plugins-msms-100415.ebuild @@ -0,0 +1,54 @@ +# Copyright 1999-2011 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI="3" + +PYTHON_DEPEND="2" +SUPPORT_PYTHON_ABIS="1" +RESTRICT_PYTHON_ABIS="3.* *-jython" + +inherit eutils python + +DESCRIPTION="GUI for MSMS and displaying its results in PyMOL" +HOMEPAGE="http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/msms_pymol.html" +SRC_URI="http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/pymol_script/msms_pymol.py -> ${P}.py" + +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +LICENSE="BSD pymol" +IUSE="" + +RDEPEND=" + sci-chemistry/msms-bin + sci-chemistry/pymol" +DEPEND="${RDEPEND}" + +src_unpack() { + mkdir "${S}" + cp "${DISTDIR}"/${A} "${S}/" +} + +src_prepare() { + epatch "${FILESDIR}"/${PV}-msms.patch + sed \ + -e "s:GENTOOMSMS:${EPREFIX}/opt/bin/msms:g" \ + -e "s:GENTOOXYZRN:${EPREFIX}/usr/bin/pdb_to_xyzrn:g" \ + -i ${A} || die +} + +src_install() { + installation() { + insinto $(python_get_sitedir)/pmg_tk/startup + doins ${P}.py + } + python_execute_function installation +} + +pkg_postinst() { + python_mod_optimize pmg_tk/startup/${P}.py +} + +pkg_postrm() { + python_mod_cleanup pmg_tk/startup/${P}.py +} |