commit: d45914d8382015cd695156736461a2e3e0d513f8 Author: Justin Lecher <jlec <AT> gentoo <DOT> org> AuthorDate: Mon Dec 18 14:01:19 2017 +0000 Commit: Justin Lecher <jlec <AT> gentoo <DOT> org> CommitDate: Mon Dec 18 14:03:48 2017 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=d45914d8
sci-chemistry/namd: Bump to EAPI=6 * drop old * Fix for new RPC siutation * fix for new hash algos Closes: https://bugs.gentoo.org/638354 Signed-off-by: Justin Lecher <jlec <AT> gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6 sci-chemistry/namd/Manifest | 3 +- sci-chemistry/namd/files/namd-2.10-gentoo.patch | 2 +- sci-chemistry/namd/metadata.xml | 2 +- sci-chemistry/namd/namd-2.10.ebuild | 36 ++++---- sci-chemistry/namd/namd-2.9-r1.ebuild | 104 ------------------------ 5 files changed, 24 insertions(+), 123 deletions(-) diff --git a/sci-chemistry/namd/Manifest b/sci-chemistry/namd/Manifest index 80b19cddaea..6048fce7010 100644 --- a/sci-chemistry/namd/Manifest +++ b/sci-chemistry/namd/Manifest @@ -1,2 +1 @@ -DIST NAMD_2.10_Source.tar.gz 9200234 SHA256 a5282c172524c2fbe6b9ba56f2de8c84f1093405c914ffbc70442dd0dd4e4289 SHA512 3712a03841fad76c502ac4e41469162ff78e6152560d0f6855d61d2b5583241a661e2a3e7446029b56a6f6f1100f25cb51b2c3df6571542397961d3bb625bc92 WHIRLPOOL b97e47c1d73d505620c26a2eca2e2e91807ebeff19e8820d9be7ea6ddd84c59cd5839846a18a2615ae993a1a6fc22b90e5080cf9d8a72aa412f6b81354e0f284 -DIST NAMD_2.9_Source.tar.gz 8814042 SHA256 9ba6a1f87d4600a62847728d7c223295be214f9a72b5bb62552f74d644108424 SHA512 0644814a2799b560d9dcf807ba0047325bc9f0a26e3831b0465d95180784f038d69595e036daac85d59cd919c92d11a0343031975d99deb1fa3052c8a649bdd6 WHIRLPOOL 5494ccb2ee2f2792fe52ad7dcfe6da9d11453f0a9b0859d30698dea56b00d92fae73465967f82bd708abee5cd4ff50b0a6ffde86451e859e2f515af203e09286 +DIST NAMD_2.10_Source.tar 35287040 BLAKE2B cc48198cd5f0490709899dd1e3c819c2caaf6f160bc5b5d7b77a18fdb63a4b9e365c99169ce8b19eb5ad139d4adb10e350985bc31f43b0abf965cb0d494fd84f SHA512 86ac830446436ad695ae61c2fb5857385f9aee01ee38be648a08d00834fd037f7da0ac4b442fcb81ca9e4ebd328344c296d0d810b8cc26ced8408be488c90b5a diff --git a/sci-chemistry/namd/files/namd-2.10-gentoo.patch b/sci-chemistry/namd/files/namd-2.10-gentoo.patch index e578c131c36..ffef6dc3ad6 100644 --- a/sci-chemistry/namd/files/namd-2.10-gentoo.patch +++ b/sci-chemistry/namd/files/namd-2.10-gentoo.patch @@ -22,7 +22,7 @@ diff -Naur NAMD_2.10_Source.orig/arch/Linux-x86_64.tcl NAMD_2.10_Source/arch/Lin TCLINCL=-I$(TCLDIR)/include #TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -lpthread -+TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread ++#TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread TCLFLAGS=-DNAMD_TCL TCL=$(TCLINCL) $(TCLFLAGS) diff --git a/sci-chemistry/namd/metadata.xml b/sci-chemistry/namd/metadata.xml index dc42d24f9af..2fe5325ae7f 100644 --- a/sci-chemistry/namd/metadata.xml +++ b/sci-chemistry/namd/metadata.xml @@ -5,7 +5,7 @@ <email>[email protected]</email> <name>Nicolas Bock</name> </maintainer> -<maintainer type="project"> + <maintainer type="project"> <email>[email protected]</email> <name>Gentoo Chemistry Project</name> </maintainer> diff --git a/sci-chemistry/namd/namd-2.10.ebuild b/sci-chemistry/namd/namd-2.10.ebuild index d67280b8d0f..624d3292621 100644 --- a/sci-chemistry/namd/namd-2.10.ebuild +++ b/sci-chemistry/namd/namd-2.10.ebuild @@ -1,18 +1,17 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -EAPI=5 +EAPI=6 + +MY_PN="NAMD" inherit eutils multilib toolchain-funcs flag-o-matic DESCRIPTION="A powerful and highly parallelized molecular dynamics code" -LICENSE="namd" HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/"; +SRC_URI="${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 ${PN}2 psfgen flipbinpdb flipdcd diff --git a/sci-chemistry/namd/namd-2.9-r1.ebuild b/sci-chemistry/namd/namd-2.9-r1.ebuild deleted file mode 100644 index 869c1ec2f18..00000000000 --- a/sci-chemistry/namd/namd-2.9-r1.ebuild +++ /dev/null @@ -1,104 +0,0 @@ -# Copyright 1999-2015 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -inherit eutils multilib toolchain-funcs flag-o-matic - -DESCRIPTION="A powerful and highly parallelized molecular dynamics code" -LICENSE="namd" -HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/"; - -MY_PN="NAMD" - -SRC_URI="${MY_PN}_${PV}_Source.tar.gz" - -SLOT="0" -KEYWORDS="~amd64" -IUSE="" - -RESTRICT="fetch" - -RDEPEND=" - >=sys-cluster/charm-6.5.1-r2 - sci-libs/fftw:3.0 - dev-lang/tcl:0=" - -DEPEND="${RDEPEND} - app-shells/tcsh" - -NAMD_ARCH="Linux-x86_64-g++" - -NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD"; - -S="${WORKDIR}/${MY_PN}_${PV}_Source" - -pkg_nofetch() { - echo - einfo "Please download ${MY_PN}_${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 ${PV} version!" - echo -} - -src_prepare() { - CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3) - - # apply a few small fixes to make NAMD compile and - # link to the proper libraries - epatch "${FILESDIR}"/namd-2.9-gentoo.patch - epatch "${FILESDIR}"/namd-2.7-iml-dec.patch - sed \ - -e "s:charm-.\+:charm-${CHARM_VERSION}:" \ - -i Make.charm || die - - # Remove charm distribution. We don't need it. - rm -f charm-6.4.0.tar || die - - # proper compiler and cflags - sed \ - -e "s/g++.*/$(tc-getCXX)/" \ - -e "s/gcc.*/$(tc-getCC)/" \ - -e "s/CXXOPTS = .*/CXXOPTS = ${CXXFLAGS} ${LDFLAGS}/" \ - -e "s/COPTS = .*/COPTS = ${CFLAGS} ${LDFLAGS}/" \ - -i arch/${NAMD_ARCH}.arch || die - - 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@/lib@/$(get_libdir)@g" -e '/FFTDIR=/s@=.*@=/usr@' -i arch/Linux-x86_64.fftw3 || die - sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || die -} - -src_configure() { - # configure - ./config ${NAMD_ARCH} --with-fftw3 --charm-arch . || die -} - -src_compile() { - # build namd - cd "${S}/${NAMD_ARCH}" - emake -} - -src_install() { - dodoc announce.txt license.txt notes.txt - cd "${S}/${NAMD_ARCH}" - - # the binaries - dobin ${PN}2 psfgen flipbinpdb flipdcd -} - -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 -}
