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Gentoo's Bugzilla – Attachment 242561 Details for
Bug 249493
sci-physics/abinit-6.2.2 needs better ebuild
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sci-physics/abinit-6.2.2.ebuild
abinit-6.2.2.ebuild (text/plain), 4.92 KB, created by
Honza Macháček
on 2010-08-12 12:55:17 UTC
(
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Description:
sci-physics/abinit-6.2.2.ebuild
Filename:
MIME Type:
Creator:
Honza Macháček
Created:
2010-08-12 12:55:17 UTC
Size:
4.92 KB
patch
obsolete
># Copyright 1999-2009 Gentoo Foundation ># Distributed under the terms of the GNU General Public License v2 > >EAPI="2" > >inherit fortran multilib toolchain-funcs > >DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory" >HOMEPAGE="http://www.abinit.org/" >SRC_URI="http://ftp.abinit.org/${P}.tar.gz" > >LICENSE="GPL-2" >SLOT="0" >KEYWORDS="~amd64 ~ppc ~x86" >IUSE="cuda fftw fox gsl mpi smp test vdwxc" > >RDEPEND="=sci-libs/bigdft-1.2.0.2-r2 > sci-libs/etsf_io > =sci-libs/libxc-1.0_p6071 > fox? ( sci-libs/fox[dom,sax,wcml,wxml] ) > sci-libs/netcdf[hdf5] > sci-libs/hdf5 > sci-libs/wannier90 > virtual/blas > virtual/lapack > gsl? ( sci-libs/gsl ) > fftw? ( sci-libs/fftw:3 ) > mpi? ( virtual/mpi )" >DEPEND="${RDEPEND}" > >WANT_AUTOCONF="latest" > ># F90 code, g77 won't work >FORTRAN="gfortran ifc mpif90" > >S=${WORKDIR}/${P%[a-z]} > >src_prepare() { > epatch "${FILESDIR}"/6.2.2-change-default-directories.patch > epatch "${FILESDIR}"/6.2.2-configure-fortran-calls.patch > epatch "${FILESDIR}"/6.0.3-fftw.patch > epatch "${FILESDIR}"/6.2.2-long-message.patch > epatch "${FILESDIR}"/6.2.2-non-plugin-libs.patch ># To compile against the current SVN HEAD of libxc: ># epatch "${FILESDIR}"/6.0.3-libxc-flags.patch > eautoreconf ># find "${S}" -type f -exec grep -q -- '-llibxc' {} \; \ ># -exec sed -i -e's/-llibxc/-lxc/g' {} \; >} > >src_configure() { > local libs="-L/usr/$(get_libdir)" > local modules="-I/usr/$(get_libdir)/finclude" > local FoX_libs="-lFoX_dom -lFoX_sax -lFoX_wcml -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys" > if use mpi; then > MY_FC="mpif90" > MY_CC="mpicc" > MY_CXX="mpic++" > else > MY_FC="${FORTRANC}" > MY_CC="$(tc-getCC)" > MY_CXX="$(tc-getCXX)" > fi > econf \ > $(use_enable mpi) \ > $(use_enable mpi mpi-io) \ > $(use_enable smp) \ > $(use_enable fox) \ > $(use_enable gsl math) \ > $(use_enable fftw fft) \ > $(use_enable cuda gpu) \ > $(use_enable vdwxc) \ > --enable-linalg \ > --enable-trio \ > --enable-etsf-io \ > --enable-dft \ > --with-linalg-flavor="atlas" \ > --with-linalg-libs="$(pkg-config --libs lapack)" \ > --with-trio-flavor="etsf+hdf+netcdf" \ > --with-netcdf-includes="-I/usr/include" \ > --with-netcdf-libs="$(pkg-config --libs netcdf) -lnetcdff -lhdf5_fortran" \ > --with-fox-includes="${modules}" \ > --with-fox-libs="${libs} ${FoX_libs}" \ > --with-etsf-io-includes="${modules}" \ > --with-etsf-io-libs="${libs} -letsf_io -letsf_io_low_level -letsf_io_utils" \ > --with-trio-includes="-I/usr/include ${modules}" \ > --with-trio-libs="$(pkg-config --libs netcdf) -lnetcdff -lhdf5_fortran -letsf_io -letsf_io_low_level -letsf_io_utils" \ > --with-dft-flavor="libxc+bigdft+wannier90" \ > --with-libxc-includes="${modules}" \ > --with-libxc-libs="${libs} -lxc" \ > --with-bigdft-includes="${modules}" \ > --with-bigdft-libs="${libs} -lpoissonsolver -lbigdft" \ > --with-wannier90="/usr/bin/wannier90.x" \ > --with-wannier90-includes="${modules}" \ > --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" \ > --with-dft-includes="${modules}" \ > --with-dft-libs="${libs} -lwannier -lpoissonsolver -lbigdft -lxc $(pkg-config --libs lapack)" \ > --with-fft-flavor="fftw3+fftw3-threads" \ > --with-fft-includes="-I/usr/include $(pkg-config --cflags fftw3)" \ > --with-fft-libs="$(pkg-config --libs fftw3) -lfftw3_threads" \ > --with-math-flavor="gsl" \ > --with-math-includes="$(pkg-config --cflags gsl)" \ > --with-math-libs="$(pkg-config --libs gsl)" \ > --with-timer-flavor="abinit" \ > FC="${MY_FC}" \ > CC="${MY_CC}" \ > CXX="${MY_CXX}" \ > LD="$(tc-getLD)" \ > FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules}" >} > >src_compile() { ># if use mpi; then ># emake multi || die ># else > emake || die ># fi >} > >src_test() { > einfo "The tests take quite a while, on the order of 1-2 hours" > einfo "on an Intel Penryn (2.5 GHz)." > cd "${S}"/tests > emake tests_bench > > local REPORT > for REPORT in $(find . -name report); do > REPORT=${REPORT#*/} > elog "Parameters and unusual results for ${REPORT%%/*} tests" > echo "Parameters and unusual results for ${REPORT%%/*} tests" >>tests_summary.txt > while read line; do > elog "${line}" > echo "${line}" >>tests_summary.txt > done \ > < <(grep -v -e succeeded -e passed ${REPORT}) > done > > local testdir > find . -name ",,test*" -print | \ > while read testdir; do > if [ -e summary_tests.tar ]; then > tar rvf summary_tests.tar ${testdir} > else tar cvf summary_tests.tar ${testdir} > fi > done > > elog "The full test results will be installed as summary_tests.tar.bz2." > elog "Also a concise report tests_summary.txt is installed." >} > >src_install() { > emake DESTDIR="${D}" install || die "make install failed" > > if use test; then > dodoc tests/tests_summary.txt || ewarn "Copying tests summary failed" > dodoc tests/summary_tests.tar || ewarn "Copying tests results failed" > fi > > dodoc KNOWN_PROBLEMS README || die "Copying doc files failed" >} > >pkg_postinst() { > if use test; then > elog "The full test results will be installed as summary_tests.tar.bz2." > elog "Also a concise report tests_summary.txt is installed." > fi >}
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