jlec 15/06/21 10:42:07 Modified: ChangeLog Added: tinker-7.1.2.ebuild Removed: tinker-5.1.09.ebuild tinker-6.ebuild Log: Version Bump, bug #390165, bug #521292; drop old, obsolets bug #478596, bug #552712 (Portage version: 2.2.20/cvs/Linux x86_64, signed Manifest commit with key E9402A79B03529A2!)
Revision Changes Path 1.34 sci-chemistry/tinker/ChangeLog file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/ChangeLog?rev=1.34&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/ChangeLog?rev=1.34&content-type=text/plain diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/ChangeLog?r1=1.33&r2=1.34 Index: ChangeLog =================================================================== RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/ChangeLog,v retrieving revision 1.33 retrieving revision 1.34 diff -u -r1.33 -r1.34 --- ChangeLog 19 Oct 2012 10:30:49 -0000 1.33 +++ ChangeLog 21 Jun 2015 10:42:07 -0000 1.34 @@ -1,6 +1,14 @@ # ChangeLog for sci-chemistry/tinker -# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/ChangeLog,v 1.33 2012/10/19 10:30:49 jlec Exp $ +# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/ChangeLog,v 1.34 2015/06/21 10:42:07 jlec Exp $ + +*tinker-7.1.2 (21 Jun 2015) + + 21 Jun 2015; Justin Lecher <[email protected]> +files/7.1.2-openmp.patch, + +files/tinker-7.1.2-build.patch, +tinker-7.1.2.ebuild, -tinker-5.1.09.ebuild, + -tinker-6.ebuild: + Version Bump, bug #390165, bug #521292; drop old, obsolets bug #478596, bug + #552712 19 Oct 2012; Justin Lecher <[email protected]> tinker-5.1.09.ebuild, tinker-6.ebuild, metadata.xml: @@ -146,4 +154,3 @@ +tinker-4.2.ebuild: (#35945) New molecular mechanics package. Heavily modified ebuild based on that of Jeremy Warren <[email protected]>. - 1.1 sci-chemistry/tinker/tinker-7.1.2.ebuild file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/tinker-7.1.2.ebuild?rev=1.1&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/tinker/tinker-7.1.2.ebuild?rev=1.1&content-type=text/plain Index: tinker-7.1.2.ebuild =================================================================== # Copyright 1999-2015 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/tinker-7.1.2.ebuild,v 1.1 2015/06/21 10:42:07 jlec Exp $ EAPI=5 inherit eutils flag-o-matic fortran-2 java-pkg-opt-2 toolchain-funcs DESCRIPTION="Molecular modeling package that includes force fields, such as AMBER and CHARMM" HOMEPAGE="http://dasher.wustl.edu/tinker/"; SRC_URI="http://dasher.wustl.edu/${PN}/downloads/${P}.tar.gz"; SLOT="0" LICENSE="Tinker" KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" IUSE="examples" DEPEND=" >=virtual/jdk-1.6" RDEPEND=" >=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !dev-util/diffuse >=virtual/jre-1.6" RESTRICT="mirror" S="${WORKDIR}"/${PN}/source pkg_setup() { fortran-2_pkg_setup java-pkg-opt-2_pkg_setup tc-has-openmp || die "Please use an openmp capable compiler like gcc[openmp]" } src_prepare() { sed 's:strip:true:g' -i ../make/Makefile [[ $(tc-getFC) =~ "ifort" ]] || epatch "${FILESDIR}"/${PV}-openmp.patch cd .. && epatch "${FILESDIR}"/${P}-build.patch } src_compile() { local javalib= for i in $(java-config -g LDPATH | sed 's|:| |g'); do [[ -f ${i}/libjvm.so ]] && javalib=${i} done # use dummy routines in pmpb.f instead of apbs calls rm pmpb.c || die if [[ $(tc-getFC) =~ "gfortran" ]]; then append-flags -fopenmp _omplib="-lgomp" else append-flags -openmp _omplib="-liomp5" fi _fftwlib="$($(tc-getPKG_CONFIG) --libs fftw3 fftw3_threads)" emake \ -f ../make/Makefile \ F77="$(tc-getFC)" \ CC="$(tc-getCC) -c" \ F77FLAGS=-c \ OPTFLAGS="${FFLAGS}" \ LINKFLAGS="${LDFLAGS} -Wl,-rpath ${javalib}" \ INCLUDEDIR="$(java-pkg_get-jni-cflags) -I${EPREFIX}/usr/include" \ LIBS="-lmaloc -L${javalib} -ljvm ${_omplib} ${_fftwlib}" \ all mkdir "${S}"/../bin || die emake \ -f ../make/Makefile \ BINDIR="${S}"/../bin \ rename } src_test() { cd "${WORKDIR}"/${PN}/test/ for test in *.run; do einfo "Testing ${test} ..." bash ${test} || die done } src_install() { dobin "${WORKDIR}"/${PN}/perl/mdavg "${WORKDIR}"/${PN}/bin/* insinto /usr/share/${PN}/ doins -r "${WORKDIR}"/${PN}/params dodoc \ "${WORKDIR}"/${PN}/doc/{*.txt,*.pdf,0README} if use examples; then insinto /usr/share/${P} doins -r "${WORKDIR}"/${PN}/example doins -r "${WORKDIR}"/${PN}/test fi }
