reinit the tree, so we can have metadata

4 files changed, 78 insertions, 0 deletions

diff --git a/sci-mathematics/diagrtb/Manifest b/sci-mathematics/diagrtb/Manifest
new file mode 100644
index 000000000000..d9f0ce56de60
--- /dev/null
+++ b/sci-mathematics/diagrtb/Manifest
@@ -0,0 +1,6 @@
+AUX CMakeLists.txt 364 SHA256 00f44ed116a81a0eda1252505d6c9714a708ee021ab682d32de109d41c03b7d7 SHA512 24938f1b63bd943e6a00829f9a8bffc5774de46926d9d822e14a34b1e718bdfd31d5783fce829632203654aa7508755d5b9afa3c1822d43fcb685b81c3bd155a WHIRLPOOL 7833f801ab40988dddabf6a683dc4c93b2ce57a2ffd4a46927a8d62629a9faf2cad49c1476b891625324b50fda57c752e4f9b7721559be784fce48fd5882691b
+DIST diagrtb-2.64.tar.gz 2429842 SHA256 bbab6ed2f9eeae1c64d0d55764908748a5e321589df81c7d87647623950b7aa0 SHA512 90b1cb40d6d31cf40e27fcd50cdf864e7de036a415c56c1406f6af58339788b6a2f000abe117ad4200d3086f589e4ee916e3a7e2dd52522581de2244ad444a2c WHIRLPOOL 9f4da56b72c0a9152b8873c986d8153cc66916ff62c366b0cbe2b389062738825830ee904d964ddd1bc0dd02f7be342320100a75f373cf76e5a9b422c595022c
+EBUILD diagrtb-2.64.ebuild 711 SHA256 f12a924e6a59e10024143cf363ca35f87e200461aaf2a20b00700f18462e3762 SHA512 9bfd2036a3f3847871f36b51016b630c5f968dde95c9f1b3a7756cdc45a0e5d8718680b451374acbde931336316ab6010caaa215f3155e9f7e4894ede73d1ee8 WHIRLPOOL 272b7f5cf2a0791bca1c38a0170313854b94bdc68c8416dd8c35e646e19d86fe43795eb199ce5399e1f1da4fbede843a9056b06be402fffb838ad52994b2b876
+MISC ChangeLog 2595 SHA256 5d7c9c392b1fba0f8a0c232ac978d112608170569a0b32badc684474a61d8c23 SHA512 4f1f92b4eef21b4115509cd0d6caef17e8b0ee01646eecf84cad6b47be5f6693fc722d823824d8162e249b2620b00a48011ced16462e8ab7c2338f766e21661b WHIRLPOOL db24be25d2147895054bfdfdfecf0c2e14ddce4829cfca6de14fed2d32521c28933e9baea48bd4b521307e1928dbbc3e7660b87b0949ea4a038cb376a8cefec4
+MISC ChangeLog-2015 518 SHA256 a8251e454428276b6404988cb1dca1aa88417155c484e1850e2645b42217b377 SHA512 ccbb829d44197e840979b141bc91e3448d758b32b34643199ed048480d325ca7bb7a9ec868c4de7944f2a1bacfeb4a08092a4711a36930ea2fb3f12c37683387 WHIRLPOOL 7a3fb885ac746aa90e2538047c0322a0d87fbb49010bef3ebfc6a43997857cd2af2e49b48c5aecf92a6d697f93a71bf80a28b03f939488f9ddf74a129f5d85da
+MISC metadata.xml 1227 SHA256 6095dc7cff57d0c081e5dc900402ec4b783721854ce03765faa77c10c5c333a7 SHA512 868e64815be28cc00c952f682e31dd07a6fa2d244a97ab15805be62ad288531284da74aeb4525210477c00952ebe039de503af572ecd1aad0ceef7160a0578fd WHIRLPOOL a5471336efaf972e04b0d8e0347d5100d5b902894ef70a17ca389c8e048f7c7d33704c22b241652d729979701eaf019a375d7182187dbe4c2df3e8872669151b
diff --git a/sci-mathematics/diagrtb/diagrtb-2.64.ebuild b/sci-mathematics/diagrtb/diagrtb-2.64.ebuild
new file mode 100644
index 000000000000..7d68ff7897a9
--- /dev/null
+++ b/sci-mathematics/diagrtb/diagrtb-2.64.ebuild
@@ -0,0 +1,32 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+inherit cmake-utils fortran-2
+
+DESCRIPTION="Calculation of some eigenvectors of a large real, symmetrical, matrix"
+HOMEPAGE="http://ecole.modelisation.free.fr/modes.html"
+SRC_URI="http://ecole.modelisation.free.fr/rtb2011.tar.gz -> ${P}.tar.gz"
+
+LICENSE="all-rights-reserved"
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="examples"
+RESTRICT="mirror bindist"
+
+S="${WORKDIR}"/Source_RTB2011
+
+src_prepare() {
+	cp "${FILESDIR}"/CMakeLists.txt . || die
+
+	cmake-utils_src_prepare
+}
+
+src_configure() {
+	local mycmakeargs=(
+		-DEXAMPLES=$(usex examples)
+	)
+
+	cmake-utils_src_configure
+}
diff --git a/sci-mathematics/diagrtb/files/CMakeLists.txt b/sci-mathematics/diagrtb/files/CMakeLists.txt
new file mode 100644
index 000000000000..d1eb6c62f09f
--- /dev/null
+++ b/sci-mathematics/diagrtb/files/CMakeLists.txt
@@ -0,0 +1,13 @@
+cmake_minimum_required (VERSION 2.6)
+project (DIAGRTB Fortran)
+
+option (EXAMPLES "Instal additional example files" OFF)
+
+add_executable(diagrtb diagrtb.f)
+
+install (TARGETS diagrtb DESTINATION bin)
+install (FILES diagrtb.README DESTINATION share/doc/diagrtb)
+
+if ( EXAMPLES )
+	install (DIRECTORY ../Try_RTB2011 DESTINATION share/diagrtb/examples)
+endif (EXAMPLES)
diff --git a/sci-mathematics/diagrtb/metadata.xml b/sci-mathematics/diagrtb/metadata.xml
new file mode 100644
index 000000000000..a8d5288c5ad0
--- /dev/null
+++ b/sci-mathematics/diagrtb/metadata.xml
@@ -0,0 +1,27 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+	<maintainer type="project">
+		<email>sci-chemistry@gentoo.org</email>
+		<name>Gentoo Chemistry Project</name>
+	</maintainer>
+	<longdescription>
+A fortran program for the calculation of some eigenvectors of a large real, 
+symmetrical, matrix.
+If the matrix was obtained, for instance, with the PDBMAT program, these 
+eigenvectors correspond to the low-frequency normal modes (i.e., mostly 
+those with a collective character) of the system. Note that in the case of 
+proteins, low-frequency normal modes thus obtained are found to be very close 
+to those obtained with standard, much more realistic (e.g., all atoms with 
+empirical force fields), models.
+
+The method used rests upon the RTB approximation (standing for 
+Rotations-Translations-of-Blocks). Within the frame of this approximation, 
+blocks of n (n=1,2,...) consecutive monomers (amino-acid residues) are 
+assumed to behave like rigid bodies.
+
+Requirements: a matrix in the "i j non-zero-ij-matrix-element" format. 
+A file with the coordinates of the system, in the PDB or "x y z mass 
+block-number" format.
+</longdescription>
+</pkgmetadata>