diff options
author | Justin Lecher <jlec@gentoo.org> | 2013-06-16 16:29:57 +0200 |
---|---|---|
committer | Justin Lecher <jlec@gentoo.org> | 2013-06-16 16:29:57 +0200 |
commit | 5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f (patch) | |
tree | ff57008eb37e24e92227274f818ece00d32cc2e3 /sci-chemistry | |
parent | sci-chemistry/ssp: Bump to EAPI=5 and fix license (diff) | |
download | sci-5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f.tar.gz sci-5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f.tar.bz2 sci-5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f.zip |
sci-chemistry/nwchem: Drop old; drop virtual/fortran as the eclass depends on it
Package-Manager: portage-2.2.0_alpha180
Diffstat (limited to 'sci-chemistry')
-rw-r--r-- | sci-chemistry/nwchem/ChangeLog | 4 | ||||
-rw-r--r-- | sci-chemistry/nwchem/Manifest | 1 | ||||
-rw-r--r-- | sci-chemistry/nwchem/nwchem-6.1.1.ebuild | 126 | ||||
-rw-r--r-- | sci-chemistry/nwchem/nwchem-6.3.ebuild | 10 |
4 files changed, 10 insertions, 131 deletions
diff --git a/sci-chemistry/nwchem/ChangeLog b/sci-chemistry/nwchem/ChangeLog index a93271c16..01bbf7962 100644 --- a/sci-chemistry/nwchem/ChangeLog +++ b/sci-chemistry/nwchem/ChangeLog @@ -2,6 +2,10 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ + 16 Jun 2013; Justin Lecher <jlec@gentoo.org> -nwchem-6.1.1.ebuild, + nwchem-6.3.ebuild: + Drop old; drop virtual/fortran as the eclass depends on it + 04 Jun 2013; Justin Lecher <jlec@gentoo.org> nwchem-6.3.ebuild: Fix for correct usage of new python eclasses diff --git a/sci-chemistry/nwchem/Manifest b/sci-chemistry/nwchem/Manifest index 56aeb6eca..d717621f9 100644 --- a/sci-chemistry/nwchem/Manifest +++ b/sci-chemistry/nwchem/Manifest @@ -1,2 +1 @@ -DIST Nwchem-6.1.1-src.2012-06-27.tar.gz 77838112 SHA256 153a975e18fa88afbacfa2c7d4384e31bc25c43bd5c99c2f4074006a8e035dab SHA512 b2cc796f6fd0e37385a9b8c0a5dbc3c219849938b52809a616cb5c3fa5a3a54a7c61be215cf8975d1287d09ecfae1bedd41e69e445e61adb5a7aac505802170d WHIRLPOOL d6107522fadca8597d0fdff758169a2c25adb8da0ccfbad9a9f408708d0060922fef443f9c92ccd97b3772c70ba9fe90a1ec7c059de536e6a294719080c9bfaf DIST Nwchem-6.3-src.2013-05-17.tar.gz 112227871 SHA256 c8049adb14f198d3ee40e38ed6e00dd4d59ef7cf992c4d45f392172df217f378 SHA512 05cb37aae41746c56ab715a47830bdf336cfe469b5f1b492be369c620d300039529ea30ed75f885fc06a5d3a45a64297341555ea71ef5b56efcca14798dcf8d3 WHIRLPOOL 40d46a7bf7b99455219325a03fe72b426f60c058110aa3c17308b57be962210100b58bac6e2e99cfc60b4d7cf87f7e8c5fd712d3c815b260790ff58d59380f36 diff --git a/sci-chemistry/nwchem/nwchem-6.1.1.ebuild b/sci-chemistry/nwchem/nwchem-6.1.1.ebuild deleted file mode 100644 index a0196083d..000000000 --- a/sci-chemistry/nwchem/nwchem-6.1.1.ebuild +++ /dev/null @@ -1,126 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI=5 - -inherit eutils fortran-2 multilib python toolchain-funcs - -DATE="2012-06-27" - -DESCRIPTION="NWChem: Delivering High-Performance Computational Chemistry to Science" -HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page" -SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV}-src.${DATE}.tar.gz" - -LICENSE="ECL-2.0" -SLOT="0" -KEYWORDS="~x86 ~amd64" -IUSE="mpi examples nwchem-tests python" - -RDEPEND="sys-fs/sysfsutils" -DEPEND="${RDEPEND} - virtual/fortran - mpi? ( virtual/mpi[fortran] )" - -S="${WORKDIR}/${P}-src" - -pkg_setup() { - fortran-2_pkg_setup - use python && python_set_active_version 2 && python_pkg_setup -} - -src_prepare() { - epatch \ - "${FILESDIR}"/nwchem-${PV}-makefile.patch \ - "${FILESDIR}"/nwchem-${PV}-nwchemrc.patch \ - "${FILESDIR}"/nwchem-${PV}-adjust-dir-length.patch - use python && "${FILESDIR}"/nwchem-${PV}-python_makefile.patch - - sed \ - -e "s:DBASIS_LIBRARY=\"'\$(SRCDIR)'\":DBASIS_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \ - -i src/basis/MakeFile src/basis/GNUmakefile || die - sed \ - -e "s:DNWPW_LIBRARY=\"'\$(SRCDIR)'\":DNWPW_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \ - -i src/nwpw/libraryps/GNUmakefile || die - sed \ - -e "s:-DCOMPILATION_DIR=\"'\$(TOPDIR)'\":-DCOMPILATION_DIR=\"''\":g" \ - -i src/GNUmakefile src/MakeFile || die - - if [[ $(tc-getFC) == *-*-*-*-gfortran ]]; then - sed \ - -e "s:ifneq (\$(FC),gfortran):ifneq (\$(FC),$(tc-getFC)):g" \ - -e "s:ifeq (\$(FC),gfortran):ifeq (\$(FC),$(tc-getFC)):g" \ - -i src/config/makefile.h || die - fi -} - -src_compile() { - export USE_SUBGROUPS=yes - if use mpi ; then - export MSG_COMMS=MPI - export USE_MPI=yes - export MPI_LOC=/usr - export MPI_INCLUDE=$MPI_LOC/include - export MPI_LIB=$MPI_LOC/$(get_libdir) - export LIBMPI="$(mpif90 -showme:link)" - fi - if [ "$ARCH" = "amd64" ]; then - export NWCHEM_TARGET=LINUX64 - elif [ "$ARCH" = "ia64" ]; then - export NWCHEM_TARGET=LINUX64 - elif [ "$ARCH" = "x86" ]; then - export NWCHEM_TARGET=LINUX - elif [ "$ARCH" = "ppc" ]; then - export NWCHEM_TARGET=LINUX - else - die "Unknown architecture" - fi - if use python ; then - if [ "$ARCH" = "amd64" ] || [ "$ARCH" = "ia64" ]; then - export USE_PYTHON64=yes - fi - export PYTHONHOME=/usr - export PYTHONVERSION=$(eselect python show|awk -Fpython '{ print $2 }') - export PYTHONPATH="./:${S}/contrib/python/" - export NWCHEM_MODULES="all python" - else - export NWCHEM_MODULES="all" - fi - - cd src - emake \ - DIAG=PAR \ - FC=$(tc-getFC) \ - CC=$(tc-getCC) \ - CXX=$(tc-getCXX) \ - NWCHEM_TOP="${S}" \ - NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem" -} - -src_install() { - dobin bin/${NWCHEM_TARGET}/nwchem - - insinto /usr/share/NWChem/basis/ - doins -r src/basis/libraries src/data - insinto /usr/share/NWChem/nwpw - doins -r src/nwpw/libraryps - - insinto /etc - doins nwchemrc - - use examples && \ - insinto /usr/share/NWChem/ && \ - doins -r examples - - use nwchem-tests \ - insinto /usr/share/NWChem \ - doins -r QA/tests -} - -pkg_postinst() { - echo - elog "The user will need to link \$HOME/.nwchemrc to /etc/nwchemrc" - elog "or copy it in order to tell NWChem the right position of the" - elog "basis library and other necessary data." - echo -} diff --git a/sci-chemistry/nwchem/nwchem-6.3.ebuild b/sci-chemistry/nwchem/nwchem-6.3.ebuild index 69748f28a..4395d150d 100644 --- a/sci-chemistry/nwchem/nwchem-6.3.ebuild +++ b/sci-chemistry/nwchem/nwchem-6.3.ebuild @@ -5,11 +5,12 @@ EAPI=5 PYTHON_COMPAT=( python{2_6,2_7} ) + inherit eutils fortran-2 multilib python-single-r1 toolchain-funcs DATE="2013-05-17" -DESCRIPTION="NWChem: Delivering High-Performance Computational Chemistry to Science" +DESCRIPTION="Delivering High-Performance Computational Chemistry to Science" HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page" SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV}-src.${DATE}.tar.gz" @@ -20,13 +21,14 @@ IUSE="mpi doc examples nwchem-tests python" REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" -RDEPEND="sys-fs/sysfsutils +RDEPEND=" + sys-fs/sysfsutils python? ( ${PYTHON_DEPS} )" DEPEND="${RDEPEND} - virtual/fortran app-shells/tcsh mpi? ( virtual/mpi[fortran] ) - doc? ( dev-texlive/texlive-latex + doc? ( + dev-texlive/texlive-latex dev-tex/latex2html )" S="${WORKDIR}/${P}-src.${DATE}" |