[gentoo-commits] proj/sci:master commit in: sci-chemistry/dl_poly/

[Christoph Junghans]

commit:     4db56f45517462a736da8a591ed5c9f2a4709d65
Author:     Christoph Junghans <ottxor <AT> gentoo <DOT> org>
AuthorDate: Fri Aug  2 16:26:36 2013 +0000
Commit:     Christoph Junghans <ottxor <AT> gentoo <DOT> org>
CommitDate: Fri Aug  2 16:26:36 2013 +0000
URL:        http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=4db56f45

added newest version

Package-Manager: portage-2.2.0_alpha191

---
 sci-chemistry/dl_poly/ChangeLog           |  5 ++++
 sci-chemistry/dl_poly/dl_poly-4.05.ebuild | 41 +++++++++++++++++++++++++++++++
 2 files changed, 46 insertions(+)

diff --git a/sci-chemistry/dl_poly/ChangeLog b/sci-chemistry/dl_poly/ChangeLog
index 2980326..b0057bd 100644
--- a/sci-chemistry/dl_poly/ChangeLog
+++ b/sci-chemistry/dl_poly/ChangeLog
@@ -2,6 +2,11 @@
 # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*dl_poly-4.05 (02 Aug 2013)
+
+  02 Aug 2013; Christoph Junghans <ottxor@g.o> +dl_poly-4.05.ebuild:
+  added newest version
+
 *dl_poly-1.9 (01 Aug 2013)
 
   01 Aug 2013; Christoph Junghans <ottxor@g.o> +dl_poly-1.9.ebuild,

diff --git a/sci-chemistry/dl_poly/dl_poly-4.05.ebuild b/sci-chemistry/dl_poly/dl_poly-4.05.ebuild
new file mode 100644
index 0000000..ad88281
--- /dev/null
+++ b/sci-chemistry/dl_poly/dl_poly-4.05.ebuild
@@ -0,0 +1,41 @@
+# Copyright 1999-2013 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=5
+
+inherit fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="a general purpose molecular dynamics simulation package"
+HOMEPAGE="http://www.ccp5.ac.uk/DL_POLY/"
+SRC_URI="dl_poly_4.05.tar.gz"
+
+LICENSE="STFC"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE="doc"
+RESTRICT="fetch"
+
+DEPEND="virtual/mpi[fortran]"
+RDEPEND="${DEPEND}"
+
+S="${WORKDIR}/${P//-/_}/source"
+
+pkg_nofetch() {
+	einfo "Go to ${HOMEPAGE} and download ${A}"
+	einfo "into ${DISTDIR}"
+}
+
+src_prepare() {
+	cp ../build/Makefile_MPI Makefile || die
+}
+
+src_compile() {
+	# -I/usr/$(get_libdir) is needed to find mpi.mod
+	emake -j1 FC="mpif77 -c" FCFLAGS="${FFLAGS} -I${EPREFIX}/usr/$(get_libdir)" LD="mpif77 -o" LDFLAGS="${LDFLAGS}" EXE="${PN}" master
+}
+
+src_install() {
+	dobin "${PN}"
+	use doc && dodoc ../manual/USRMAN*.pdf
+}