[gentoo-commits] gentoo-x86 commit in sci-chemistry/namd: ChangeLog namd-2.7_beta1.ebuild namd-2.7_beta2.ebuild namd-2.7.ebuild

[Donnie Berkholz (dberkholz)]

dberkholz    10/04/24 00:02:02

  Modified:             ChangeLog
  Added:                namd-2.7_beta1.ebuild namd-2.7_beta2.ebuild
  Removed:              namd-2.7.ebuild
  Log:
  Bump to 2.7_beta2. The previous 2.7 ebuild was actually 2.7 beta 1 but was not named as such, so rename it to allow people to upgrade to beta 2.
  (Portage version: 2.1.8.3/cvs/Linux x86_64)

Revision  Changes    Path
1.11                 sci-chemistry/namd/ChangeLog

file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/namd/ChangeLog?rev=1.11&view=markup
plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/namd/ChangeLog?rev=1.11&content-type=text/plain
diff : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/namd/ChangeLog?r1=1.10&r2=1.11

Index: ChangeLog
===================================================================
RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/namd/ChangeLog,v
retrieving revision 1.10
retrieving revision 1.11
diff -u -r1.10 -r1.11
--- ChangeLog	23 Apr 2010 19:38:39 -0000	1.10
+++ ChangeLog	24 Apr 2010 00:02:02 -0000	1.11
@@ -1,6 +1,15 @@
 # ChangeLog for sci-chemistry/namd
 # Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/ChangeLog,v 1.10 2010/04/23 19:38:39 dberkholz Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/ChangeLog,v 1.11 2010/04/24 00:02:02 dberkholz Exp $
+
+*namd-2.7_beta2 (24 Apr 2010)
+*namd-2.7_beta1 (24 Apr 2010)
+
+  24 Apr 2010; Donnie Berkholz <dberkholz@g.o>;
+  +namd-2.7_beta1.ebuild, +namd-2.7_beta2.ebuild, -namd-2.7.ebuild,
+  +files/namd-2.7_beta2-gentoo.patch:
+  Bump to 2.7_beta2. The previous 2.7 ebuild was actually 2.7 beta 1 but was
+  not named as such, so rename it to allow people to upgrade to beta 2.
 
   23 Apr 2010; Donnie Berkholz <dberkholz@g.o>; namd-2.7.ebuild:
   All tc-get* sed replacements must happen before C*FLAGS-related ones,



1.1                  sci-chemistry/namd/namd-2.7_beta1.ebuild

file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/namd/namd-2.7_beta1.ebuild?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/namd/namd-2.7_beta1.ebuild?rev=1.1&content-type=text/plain

Index: namd-2.7_beta1.ebuild
===================================================================
# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/namd-2.7_beta1.ebuild,v 1.1 2010/04/24 00:02:02 dberkholz Exp $

inherit eutils toolchain-funcs flag-o-matic

DESCRIPTION="A powerful and highly parallelized molecular dynamics code"
LICENSE="namd"
HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/"

MY_PN="NAMD"
MY_PV="2.7b1"

SRC_URI="${MY_PN}_${MY_PV}_Source.tar.gz"

SLOT="0"
KEYWORDS="~amd64"
IUSE=""

RESTRICT="fetch"

DEPEND="|| ( app-shells/csh
			app-shells/tcsh )
	sys-cluster/charm
	=sci-libs/fftw-2*
	dev-lang/tcl"

RDEPEND=${DEPEND}

NAMD_ARCH="Linux-x86_64-g++"

NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD"

S="${WORKDIR}/${MY_PN}_${MY_PV}_Source"

pkg_nofetch() {
	echo
	einfo "Please download ${MY_PN}_${MY_PV}_Source.tar.gz from"
	einfo "${NAMD_DOWNLOAD}"
	einfo "after agreeing to the license and then move it to"
	einfo "${DISTDIR}"
	einfo "Be sure to select the ${MY_PV} version!"
	echo
}

src_unpack() {
	unpack ${A}
	cd "${WORKDIR}"
# apply a few small fixes to make NAMD compile and
	# link to the proper libraries
	epatch "${FILESDIR}"/namd-2.7-gentoo.patch
	cd "${S}"
	# proper compiler and cflags
	sed -e "s/g++/$(tc-getCXX)/" \
		-e "s/gcc/$(tc-getCC)/" \
		-e "s/CXXOPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/CXXOPTS = ${CXXFLAGS}/" \
		-e "s/COPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/COPTS = ${CFLAGS}/" \
		-i arch/${NAMD_ARCH}.arch || \
		die "Failed to setup ${NAMD_ARCH}.arch"

	sed -e "s/gentoo-libdir/$(get_libdir)/g" \
		-e "s/gentoo-charm/charm-6.1.2/g" \
		-i Makefile || die "Failed gentooizing Makefile."
	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.fftw || \
		die "Failed gentooizing Linux-x86_64.fftw."
	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || \
		die "Failed gentooizing Linux-x86_64.tcl."

	# configure
	./config ${NAMD_ARCH}
}

src_compile() {
	# build namd
	cd "${S}/${NAMD_ARCH}"
	emake || die "Failed to build namd"
}

src_install() {
	cd "${S}/${NAMD_ARCH}"

	# the binaries
	dobin ${PN}2 psfgen flipbinpdb flipdcd || \
		die "Failed to install binaries"

	cd "${S}"

	# some docs
	dodoc announce.txt license.txt notes.txt || \
		die "Failed to install docs"
}

pkg_postinst() {
	echo
	einfo "For detailed instructions on how to run and configure"
	einfo "NAMD please consults the extensive documentation at"
	einfo "http://www.ks.uiuc.edu/Research/namd/"
	einfo "and the NAMD tutorials available at"
	einfo "http://www.ks.uiuc.edu/Training/Tutorials/"
	einfo "Have fun :)"
	echo
}



1.1                  sci-chemistry/namd/namd-2.7_beta2.ebuild

file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/namd/namd-2.7_beta2.ebuild?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/namd/namd-2.7_beta2.ebuild?rev=1.1&content-type=text/plain

Index: namd-2.7_beta2.ebuild
===================================================================
# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/namd-2.7_beta2.ebuild,v 1.1 2010/04/24 00:02:02 dberkholz Exp $

inherit eutils toolchain-funcs flag-o-matic

DESCRIPTION="A powerful and highly parallelized molecular dynamics code"
LICENSE="namd"
HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/"

MY_PN="NAMD"
MY_PV="2.7b2"

SRC_URI="${MY_PN}_${MY_PV}_Source.tar.gz"

SLOT="0"
KEYWORDS="~amd64"
IUSE=""

RESTRICT="fetch"

DEPEND="|| ( app-shells/csh
			app-shells/tcsh )
	sys-cluster/charm
	=sci-libs/fftw-2*
	dev-lang/tcl"

RDEPEND=${DEPEND}

NAMD_ARCH="Linux-x86_64-g++"

NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD"

S="${WORKDIR}/${MY_PN}_${MY_PV}_Source"

pkg_nofetch() {
	echo
	einfo "Please download ${MY_PN}_${MY_PV}_Source.tar.gz from"
	einfo "${NAMD_DOWNLOAD}"
	einfo "after agreeing to the license and then move it to"
	einfo "${DISTDIR}"
	einfo "Be sure to select the ${MY_PV} version!"
	echo
}

src_unpack() {
	unpack ${A}
	cd "${S}"

	CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3)

	# apply a few small fixes to make NAMD compile and
	# link to the proper libraries
	epatch "${FILESDIR}"/namd-2.7_beta2-gentoo.patch
	sed -e "s:charm-6.1.3:charm-${CHARM_VERSION}:" \
		Make.charm || \
		die

	rm -f charm-6.1.3.tar || die

	# proper compiler and cflags
	sed -e "s/g++/$(tc-getCXX)/" \
		-e "s/gcc/$(tc-getCC)/" \
		-e "s/CXXOPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/CXXOPTS = ${CXXFLAGS}/" \
		-e "s/COPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/COPTS = ${CFLAGS}/" \
		-i arch/${NAMD_ARCH}.arch || \
		die "Failed to setup ${NAMD_ARCH}.arch"

	sed -e "s/gentoo-libdir/$(get_libdir)/g" \
		-e "s/gentoo-charm/charm-${CHARM_VERSION}/g" \
		-i Makefile || die "Failed gentooizing Makefile."
	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.fftw || \
		die "Failed gentooizing Linux-x86_64.fftw."
	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || \
		die "Failed gentooizing Linux-x86_64.tcl."

	# configure
	./config ${NAMD_ARCH}
}

src_compile() {
	# build namd
	cd "${S}/${NAMD_ARCH}"
	emake || die "Failed to build namd"
}

src_install() {
	cd "${S}/${NAMD_ARCH}"

	# the binaries
	dobin ${PN}2 psfgen flipbinpdb flipdcd || \
		die "Failed to install binaries"

	cd "${S}"

	# some docs
	dodoc announce.txt license.txt notes.txt || \
		die "Failed to install docs"
}

pkg_postinst() {
	echo
	einfo "For detailed instructions on how to run and configure"
	einfo "NAMD please consults the extensive documentation at"
	einfo "http://www.ks.uiuc.edu/Research/namd/"
	einfo "and the NAMD tutorials available at"
	einfo "http://www.ks.uiuc.edu/Training/Tutorials/"
	einfo "Have fun :)"
	echo
}