commit: 6a570714eafe29fa3525ebbb6c096187b73b19c1 Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz> AuthorDate: Tue Jun 7 08:52:34 2016 +0000 Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz> CommitDate: Tue Jun 7 08:52:34 2016 +0000 URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=6a570714
sci-chemistry/atompaw version bumped to 4.0.0.13 Package-Manager: portage-2.2.27 sci-physics/atompaw/atompaw-4.0.0.13.ebuild | 69 +++++++++++++++++++++++++++++ 1 file changed, 69 insertions(+) diff --git a/sci-physics/atompaw/atompaw-4.0.0.13.ebuild b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild new file mode 100644 index 0000000..1251b17 --- /dev/null +++ b/sci-physics/atompaw/atompaw-4.0.0.13.ebuild @@ -0,0 +1,69 @@ +# Copyright 1999-2014 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +inherit autotools-utils eutils fortran-2 multilib toolchain-funcs + +DESCRIPTION="PAW atomic data generator" +HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html"; +SRC_URI=" + http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz + doc? ( + http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf + http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="doc libxc longplot test" + +RDEPEND=" + virtual/blas + virtual/lapack + libxc? ( >=sci-libs/libxc-2.0.1[fortran] )" +DEPEND="${RDEPEND} + virtual/pkgconfig" + +DOCS=( README ) + +FORTRAN_STANDARD=90 + +src_unpack() { + unpack ${P}.tar.gz + if use doc; then + cp "${DISTDIR}"/atompaw.pdf "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ || die + fi +} + +src_prepare() { + use longplot && epatch "${FILESDIR}"/4.0-longplot.patch +} + +src_configure() { + local myeconfargs=( + $(use_enable libxc) + --with-linalg-flavor=atlas + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" + --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" + --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" + FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" + CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" + ) + autotools-utils_src_configure +} + +src_compile() { + autotools-utils_src_compile -j1 +} + +src_test() { + use test && autotools-utils_src_test +} + +src_install() { + autotools-utils_src_install + + use doc && dodoc doc/atompaw.pdf doc/atompawEqns.pdf +}
