diff options
Diffstat (limited to 'sci-chemistry/namd/namd-2.10.ebuild')
| -rw-r--r-- | sci-chemistry/namd/namd-2.10.ebuild | 36 |
1 files changed, 21 insertions, 15 deletions
diff --git a/sci-chemistry/namd/namd-2.10.ebuild b/sci-chemistry/namd/namd-2.10.ebuild index d67280b8d0f1..624d3292621d 100644 --- a/sci-chemistry/namd/namd-2.10.ebuild +++ b/sci-chemistry/namd/namd-2.10.ebuild @@ -1,18 +1,17 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -EAPI=5 +EAPI=6 + +MY_PN="NAMD" inherit eutils multilib toolchain-funcs flag-o-matic DESCRIPTION="A powerful and highly parallelized molecular dynamics code" -LICENSE="namd" HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/" +SRC_URI="${MY_PN}_${PV}_Source.tar" -MY_PN="NAMD" - -SRC_URI="${MY_PN}_${PV}_Source.tar.gz" - +LICENSE="namd" SLOT="0" KEYWORDS="~amd64" IUSE="" @@ -25,6 +24,7 @@ RDEPEND=" dev-lang/tcl:0=" DEPEND="${RDEPEND} + virtual/pkgconfig app-shells/tcsh" NAMD_ARCH="Linux-x86_64-g++" @@ -33,6 +33,13 @@ NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageN S="${WORKDIR}/${MY_PN}_${PV}_Source" +PATCHES=( + # apply a few small fixes to make NAMD compile and + # link to the proper libraries + "${FILESDIR}"/namd-2.10-gentoo.patch + "${FILESDIR}"/namd-2.7-iml-dec.patch +) + pkg_nofetch() { echo einfo "Please download ${MY_PN}_${PV}_Source.tar.gz from" @@ -46,16 +53,14 @@ pkg_nofetch() { src_prepare() { 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-2.10-gentoo.patch - epatch "${FILESDIR}"/namd-2.7-iml-dec.patch + default + sed \ -e "/CHARMBASE =/s:= .*:= /usr/bin/charm-${CHARM_VERSION}:" \ -i Make.charm || die # Remove charm distribution. We don't need it. - rm -f charm-*.tar + rm -f charm-*.tar || die # proper compiler and cflags sed \ @@ -80,13 +85,14 @@ src_configure() { src_compile() { # build namd - cd "${S}/${NAMD_ARCH}" - emake + cd "${S}/${NAMD_ARCH}" || die + TCLLIB="$($(tc-getPKG_CONFIG) --libs tcl) -ldl -pthread" \ + emake } src_install() { dodoc announce.txt license.txt notes.txt - cd "${S}/${NAMD_ARCH}" + cd "${S}/${NAMD_ARCH}" || die # the binaries dobin ${PN}2 psfgen flipbinpdb flipdcd |