summaryrefslogtreecommitdiff
diff options
context:
space:
mode:
Diffstat (limited to 'sci-physics/abinit/abinit-5.2.3.ebuild')
-rw-r--r--sci-physics/abinit/abinit-5.2.3.ebuild102
1 files changed, 102 insertions, 0 deletions
diff --git a/sci-physics/abinit/abinit-5.2.3.ebuild b/sci-physics/abinit/abinit-5.2.3.ebuild
new file mode 100644
index 000000000000..f60412591754
--- /dev/null
+++ b/sci-physics/abinit/abinit-5.2.3.ebuild
@@ -0,0 +1,102 @@
+# Copyright 1999-2006 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/abinit/abinit-5.2.3.ebuild,v 1.1 2006/10/18 04:55:28 dberkholz Exp $
+
+inherit fortran toolchain-funcs
+
+DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
+HOMEPAGE="http://www.abinit.org/"
+SRC_URI="ftp://ftp.abinit.org/pub/abinitio/ABINIT_v${PV}/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~ppc ~x86"
+#IUSE="mpi netcdf test"
+IUSE="mpi test"
+
+RDEPEND="virtual/blas
+ virtual/lapack"
+# Doesn't build with 4.1-20060210
+# netcdf? ( sci-libs/netcdf )
+DEPEND="${RDEPEND}"
+
+# F90 code, g77 won't work
+FORTRAN="gfortran ifc"
+
+pkg_setup() {
+ fortran_pkg_setup
+
+ # Doesn't compile with gcc-4.0, only >=4.1
+ local diemsg="Requires gcc-4.1 or newer"
+ if [[ "${FORTRANC}" = "gfortran" ]]; then
+ if [[ $(gcc-major-version) -eq 4 ]] \
+ && [[ $(gcc-minor-version) -lt 1 ]]; then
+ die "${diemsg}"
+ fi
+ fi
+}
+
+src_unpack() {
+ unpack ${A}
+ cd "${S}"
+ epatch "${FILESDIR}"/${PV}-change-default-directories.patch
+ epatch "${FILESDIR}"/${PV}-fix-64bit-detection.patch
+
+ # Yea for breaking compatibility with no ChangeLog entry in 2.60
+ if has_version '>=sys-devel/autoconf-2.60'; then
+ sed -i -e "s:_AC_SRCPATHS:_AC_SRCDIRS:g" config/m4/init.m4
+ fi
+
+ AT_M4DIR="config/m4" eautoreconf
+}
+
+src_compile() {
+ econf \
+ --with-install-type=debian \
+ --disable-config-file \
+ --disable-library-search \
+ $(use_enable mpi) \
+ --with-blas-prefix=/usr \
+ --with-lapack-prefix=/usr \
+ --with-c-optflags="${CFLAGS}" \
+ --with-fortran-optflags="${FFLAGS}" \
+ --with-fortran-ldflags='-lpthread' \
+ FC="${FORTRANC}" \
+ CC="$(tc-getCC)" \
+ || die "configure failed"
+# $(use_enable netcdf) \
+
+ emake || die "make failed"
+}
+
+src_test() {
+ einfo "The tests take quite a while, on the order of 2-3 hours"
+ einfo "on a dual Athlon 2000+."
+ cd "${S}"/tests
+ emake tests_dev
+
+ local REPORT
+ for REPORT in $(find . -name *fl*); do
+ elog "Results for ${REPORT%%/*} tests"
+ while read line; do
+ elog "${line}"
+ done \
+ < <(cat ${REPORT} )
+ done
+}
+
+src_install() {
+ emake DESTDIR="${D}" install || die "install failed"
+
+ if use test; then
+ dodoc tests/summary_tests.tar.gz
+ fi
+
+ dodoc KNOWN_PROBLEMS README
+}
+
+pkg_postinst() {
+ if use test; then
+ elog "The test results will be installed as summary_tests.tar.gz."
+ fi
+}