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authorChristoph Junghans <ottxor@gentoo.org>2013-08-01 16:43:31 -0600
committerChristoph Junghans <ottxor@gentoo.org>2013-08-01 16:43:31 -0600
commitbdd4301a48f8ea2c18fc8e6edcc7bc61f0a9abb1 (patch)
treea39202ce36e643afd303edb7ef4d7fb64f2df75b /sci-chemistry
parentsys-cluster/charmdebug: Added USE flag conditional. (diff)
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initial commit
Package-Manager: portage-2.2.0_alpha191
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/dl_poly/ChangeLog9
-rw-r--r--sci-chemistry/dl_poly/Manifest1
-rw-r--r--sci-chemistry/dl_poly/dl_poly-1.9.ebuild35
-rw-r--r--sci-chemistry/dl_poly/metadata.xml9
4 files changed, 54 insertions, 0 deletions
diff --git a/sci-chemistry/dl_poly/ChangeLog b/sci-chemistry/dl_poly/ChangeLog
new file mode 100644
index 000000000..2980326ad
--- /dev/null
+++ b/sci-chemistry/dl_poly/ChangeLog
@@ -0,0 +1,9 @@
+# ChangeLog for sci-chemistry/dl_poly
+# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+*dl_poly-1.9 (01 Aug 2013)
+
+ 01 Aug 2013; Christoph Junghans <ottxor@gentoo.org> +dl_poly-1.9.ebuild,
+ +metadata.xml:
+ initial commit
diff --git a/sci-chemistry/dl_poly/Manifest b/sci-chemistry/dl_poly/Manifest
new file mode 100644
index 000000000..9f68d8948
--- /dev/null
+++ b/sci-chemistry/dl_poly/Manifest
@@ -0,0 +1 @@
+DIST dl_class_1.9.tar.gz 3280421 SHA256 eac3d0de86bfc9cfec9ee3024ef46114e85c501aec025d61e22c2c6ffda1cae8 SHA512 c87537c71552f8e9f190bfe6d216a498c0d9d202b8aa2d0ade3bca3120d67eb6b880661320119fa98e9a791cb8fa3075d617657d15f311fdb327e07e3eee4106 WHIRLPOOL 9b2caadd1bee363bbae78d5325acc0366ac6cf4f9c3a107c805c4d0bb3d94257b56a5b11857fe446383aad9235999a709d96f366ccb2ee901b461f72a118f605
diff --git a/sci-chemistry/dl_poly/dl_poly-1.9.ebuild b/sci-chemistry/dl_poly/dl_poly-1.9.ebuild
new file mode 100644
index 000000000..1aaff19b5
--- /dev/null
+++ b/sci-chemistry/dl_poly/dl_poly-1.9.ebuild
@@ -0,0 +1,35 @@
+# Copyright 1999-2013 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=5
+
+inherit fortran-2 toolchain-funcs
+
+DESCRIPTION="a general purpose molecular dynamics simulation package"
+HOMEPAGE="http://www.ccp5.ac.uk/DL_POLY_CLASSIC/"
+SRC_URI="http://ccpforge.cse.rl.ac.uk/gf/download/frsrelease/255/2627/dl_class_1.9.tar.gz"
+
+LICENSE="BSD"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE="doc"
+
+DEPEND=""
+RDEPEND="${DEPEND}"
+
+S="${WORKDIR}/dl_class_1.9/source"
+
+src_prepare() {
+ cp ../build/MakeSEQ Makefile || die
+}
+
+src_compile() {
+ emake -j1 FC=$(tc-getF77) FFLAGS="${FFLAGS} -c" LD="$(tc-getF77) -o" LDFLAGS="${LDFLAGS}" EXE="${PN}" seq
+}
+
+src_install() {
+ dobin "${PN}"
+ dodoc ../README
+ use doc && dodoc ../manual/USRMAN.pdf
+}
diff --git a/sci-chemistry/dl_poly/metadata.xml b/sci-chemistry/dl_poly/metadata.xml
new file mode 100644
index 000000000..266f600c9
--- /dev/null
+++ b/sci-chemistry/dl_poly/metadata.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <herd>sci-chemistry</herd>
+ <maintainer>
+ <email>ottxor@gentoo.org</email>
+ <name>Christoph Junghans</name>
+ </maintainer>
+</pkgmetadata>