diff options
Diffstat (limited to 'sci-chemistry/pdbmat')
| -rw-r--r-- | sci-chemistry/pdbmat/ChangeLog | 10 | ||||
| -rw-r--r-- | sci-chemistry/pdbmat/Manifest | 5 | ||||
| -rw-r--r-- | sci-chemistry/pdbmat/files/CMakeLists.txt | 14 | ||||
| -rw-r--r-- | sci-chemistry/pdbmat/metadata.xml | 34 | ||||
| -rw-r--r-- | sci-chemistry/pdbmat/pdbmat-3.89.ebuild | 29 |
5 files changed, 92 insertions, 0 deletions
diff --git a/sci-chemistry/pdbmat/ChangeLog b/sci-chemistry/pdbmat/ChangeLog new file mode 100644 index 000000000000..25dccd8a23e2 --- /dev/null +++ b/sci-chemistry/pdbmat/ChangeLog @@ -0,0 +1,10 @@ +# ChangeLog for sci-chemistry/pdbmat +# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdbmat/ChangeLog,v 1.1 2012/03/21 13:47:43 jlec Exp $ + +*pdbmat-3.89 (21 Mar 2012) + + 21 Mar 2012; Justin Lecher <jlec@gentoo.org> +pdbmat-3.89.ebuild, + +files/CMakeLists.txt, +metadata.xml: + New addition, written by me + diff --git a/sci-chemistry/pdbmat/Manifest b/sci-chemistry/pdbmat/Manifest new file mode 100644 index 000000000000..612f4d9d02c9 --- /dev/null +++ b/sci-chemistry/pdbmat/Manifest @@ -0,0 +1,5 @@ +AUX CMakeLists.txt 414 RMD160 797f3a4ceae9a60fe54d0a7065316d8dec32ee94 SHA1 a522bec6210a4904fd98521561576c61a421f922 SHA256 3892dbed23bf2283ce369dc5a2d89c0eded875d615704532fb038ccbe2c90436 +DIST pdbmat-3.89.tar.gz 124727 RMD160 8fa61884a89c8c615d1251ff9c337eaf81a70531 SHA1 e8784d36bd9f74b8605c6d9ec950195253850338 SHA256 98f75acd3da3f172213de0688825abad8b3a59c516b5b4ac411a494f6d355f72 +EBUILD pdbmat-3.89.ebuild 635 RMD160 5e8dbb20089917418635880846fef6b57b24272d SHA1 9b36c3b575bb465dfd63830c16a06e3041594669 SHA256 0da19e5d89956ccd481af441fd2136dc33b63acb0d59d7dcc2768090a4a23a45 +MISC ChangeLog 288 RMD160 884ff10b274efae8bb13befab654b0bec05fec35 SHA1 6da06b2f1eede70cb7f82c5adf162ad01764f29a SHA256 24ab8857fcb6d6d064e721c410a80f810170e912bd92d1c6171225eb6358ff07 +MISC metadata.xml 1256 RMD160 3e45e1853f37c640f26cc1ba0dccde856669ff35 SHA1 d3f81866f981705e28e9aab3f563616e67d926b1 SHA256 9cfd94af34405cdde86a1c22ec44db92b9d3c609e061d98ea8178268a04ea1f2 diff --git a/sci-chemistry/pdbmat/files/CMakeLists.txt b/sci-chemistry/pdbmat/files/CMakeLists.txt new file mode 100644 index 000000000000..2f1937d84b3f --- /dev/null +++ b/sci-chemistry/pdbmat/files/CMakeLists.txt @@ -0,0 +1,14 @@ +cmake_minimum_required (VERSION 2.6) +project (PDBMAT Fortran) + +option (EXAMPLES "Instal additional example files" OFF) + +add_executable(diagstd diagstd.f) +add_executable(pdbmat pdbmat.f) + +install (TARGETS diagstd pdbmat DESTINATION bin) +install (FILES diagstd.README pdbmat.README DESTINATION share/doc/pdbmat) + +if ( EXAMPLES ) + install (DIRECTORY ../Try_ENM2011 DESTINATION share/pdbmat/examples) +endif (EXAMPLES) diff --git a/sci-chemistry/pdbmat/metadata.xml b/sci-chemistry/pdbmat/metadata.xml new file mode 100644 index 000000000000..110c57fb33b9 --- /dev/null +++ b/sci-chemistry/pdbmat/metadata.xml @@ -0,0 +1,34 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<!-- +$Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdbmat/metadata.xml,v 1.1 2012/03/21 13:47:43 jlec Exp $ + +This is the example metadata file. +The root element of this file is <pkgmetadata>. Within this element a +number of subelements are allowed: herd, maintainer, and +longdescription. herd is a required subelement. + +For a full description look at: +http://www.gentoo.org/proj/en/devrel/handbook/handbook.xml?part=2&chap=4 + + +Before committing, please remove the comments from this file. They are +not relevant for general metadata.xml files. +--> +<pkgmetadata> + <!-- <herd>some-herd</herd> --> + <maintainer> + <email>@gentoo.org</email> + <!-- <description>Description of the maintainership</description> --> + </maintainer> + <!-- <longdescription>Long description of the package</longdescription> --> + <!-- +<use> + <flag name='flag'>Description of how USE='flag' affects this package</flag> + <flag name='userland_GNU'>Description of how USERLAND='GNU' affects this + package</flag> + <flag name='aspell'>Uses <pkg>app-text/aspell</pkg> for spell checking. + Requires an installed dictionary from <cat>app-dicts</cat></flag> +</use> +--> +</pkgmetadata> diff --git a/sci-chemistry/pdbmat/pdbmat-3.89.ebuild b/sci-chemistry/pdbmat/pdbmat-3.89.ebuild new file mode 100644 index 000000000000..598ca05c37c7 --- /dev/null +++ b/sci-chemistry/pdbmat/pdbmat-3.89.ebuild @@ -0,0 +1,29 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdbmat/pdbmat-3.89.ebuild,v 1.1 2012/03/21 13:47:43 jlec Exp $ + +EAPI=4 + +inherit cmake-utils fortran-2 + +DESCRIPTION="Calculate Tirion's model from pdb structures" +HOMEPAGE="http://ecole.modelisation.free.fr/modes.html" +SRC_URI="http://ecole.modelisation.free.fr/enm2011.tar.gz -> ${P}.tar.gz" + +SLOT="0" +LICENSE="as-is" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="examples" + +S="${WORKDIR}"/Source_ENM2011 + +src_prepare() { + cp "${FILESDIR}"/CMakeLists.txt . || die +} + +src_configure() { + mycmakeargs=( + $(cmake-utils_use examples EXAMPLES) + ) + cmake-utils_src_configure +} |