From de11633feb6440593669f655eb088de809b7067f Mon Sep 17 00:00:00 2001 From: Honza Macháček Date: Thu, 22 Mar 2012 13:39:20 +0100 Subject: sci-libs/bigdft-1.6.0 corrected, sci-physics/abinit-6.12.1 added and moved to autotools-utils, sci-libs/bigdft-1.6_pre1 it depends on added. Old versions of bigdft needed by old versions of abinit ressurected. --- sci-libs/bigdft/bigdft-1.2.0.5.ebuild | 86 +++++++++++++++++++++++++++++++++++ 1 file changed, 86 insertions(+) create mode 100644 sci-libs/bigdft/bigdft-1.2.0.5.ebuild (limited to 'sci-libs/bigdft/bigdft-1.2.0.5.ebuild') diff --git a/sci-libs/bigdft/bigdft-1.2.0.5.ebuild b/sci-libs/bigdft/bigdft-1.2.0.5.ebuild new file mode 100644 index 000000000..161d7def0 --- /dev/null +++ b/sci-libs/bigdft/bigdft-1.2.0.5.ebuild @@ -0,0 +1,86 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=3 + +inherit eutils fortran-2 toolchain-funcs + +DESCRIPTION="A DFT electronic structure code using a wavelet basis set" +HOMEPAGE="http://inac.cea.fr/L_Sim/BigDFT/" +SRC_URI=" + http://inac.cea.fr/L_Sim/BigDFT/${P}.tar.gz + http://inac.cea.fr/L_Sim/BigDFT/${PN}-1.3.2.tar.gz" + +LICENSE="GPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="cuda doc mpi test" + +RDEPEND=" + =sci-libs/libxc-1*[fortran] + virtual/blas + virtual/fortran + virtual/lapack + mpi? ( virtual/mpi ) + cuda? ( dev-util/nvidia-cuda-sdk )" +DEPEND="${RDEPEND} + dev-util/pkgconfig + >=sys-devel/autoconf-2.59 + doc? ( virtual/latex-base )" + +src_prepare() { + epatch \ + "${FILESDIR}"/${P}-0001.patch \ + "${FILESDIR}"/${PN}-1.2.0.2-testH.patch + + rm -r src/PSolver/ABINIT-common + mv ../${PN}-1.3.2/src/PSolver/ABINIT-common src/PSolver/ + sed -i -e's%@LIBXC_INCLUDE@%-I/usr/lib/finclude%g' \ + src/PSolver/ABINIT-common/Makefile.* + sed -i -e's%config\.inc%config.h%g' \ + src/PSolver/ABINIT-common/*.F90 +} + +src_configure() { + # fortran-2.eclass does not handle mpi wrappers + if use mpi; then + export FC="mpif90" + export CC="mpicc" + else + tc-export FC CC + fi + + econf \ + $(use_enable mpi) \ + --enable-libpoissonsolver \ + --enable-libbigdft \ + --enable-binaries \ + --with-moduledir=/usr/$(get_libdir)/finclude \ + --with-ext-linalg="`pkg-config --libs-only-l lapack`" \ + --with-ext-linalg-path="`pkg-config --libs-only-L lapack`" \ + --with-xc-module-path="/usr/lib/finclude" \ + $(use_enable cuda cuda-gpu) \ + $(use_with cuda cuda-path /opt/cuda) \ + $(use_with cuda lib-cutils /opt/cuda/lib) \ + FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \ + LD="$(tc-getLD)" +} + +src_compile() { + emake -j1 HAVE_ETSF_XC=1 || die "make failed" + if use doc; then + emake HAVE_ETSF_XC=1 doc || die "make doc failed" + fi +} + +src_test() { + if use test; then + emake check + fi +} + +src_install() { + emake HAVE_ETSF_XC=1 DESTDIR="${D}" install || die "install failed" + dodoc README INSTALL ChangeLog AUTHORS NEWS || die "dodoc failed" +} -- cgit v1.2.3-65-gdbad