abinit: WIP on 5.7.3 (#249493). Doesn't even build.

3 files changed, 127 insertions, 0 deletions

diff --git a/sci-physics/abinit/Manifest b/sci-physics/abinit/Manifest
new file mode 100644
index 0000000..6be3462
--- /dev/null
+++ b/sci-physics/abinit/Manifest
@@ -0,0 +1,3 @@
+AUX 5.3.4-change-default-directories.patch 1550 RMD160 02abf8695d4a12b0d47b96f86fedb05f65f0fde8 SHA1 03c6200cbe0458040cd3f7af42a28515b4c17b57 SHA256 3d493ed6f49924c248694d0de5aa0c66ac693b4ce5c6b3ce892471c9b2d7fbf7
+DIST abinit-5.7.3.tar.gz 31683174 RMD160 e2a6094a0034b9ccedac845be86b2f85b188f300 SHA1 94410b006038d55531a1d352df63ba7cb0680da9 SHA256 caac56530ceaa5e16326fd4407adcd0b1aede07ded51017f3eb6a6a3696c2867
+EBUILD abinit-5.7.3.ebuild 1962 RMD160 373ad604580ca5598fffd03d88e2e7d81aaa02ae SHA1 8321a10e3049fe282d0720a926cdc4211cbc20d5 SHA256 503bcc13c56f9258312b03e7c47b746445bc31191d7eb3dac58de2d6ce08d21d
diff --git a/sci-physics/abinit/abinit-5.7.3.ebuild b/sci-physics/abinit/abinit-5.7.3.ebuild
new file mode 100644
index 0000000..7e0f8ea
--- /dev/null
+++ b/sci-physics/abinit/abinit-5.7.3.ebuild
@@ -0,0 +1,90 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+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="~amd64 ~ppc ~x86"
+IUSE="mpi test"
+
+RDEPEND="sci-libs/bigdft
+	sci-libs/etsf_io
+	sci-libs/fox
+	sci-libs/netcdf
+	sci-libs/wannier90
+	virtual/blas
+	virtual/lapack
+	mpi? ( virtual/mpi )"
+DEPEND="${RDEPEND}
+	"
+
+# F90 code, g77 won't work
+FORTRAN="gfortran ifc mpif90"
+
+src_unpack() {
+	unpack ${A}
+	cd "${S}"
+	epatch "${FILESDIR}"/5.3.4-change-default-directories.patch
+
+	eautoreconf
+}
+
+src_compile() {
+	# Plugins: xmlf90 is obsoleted by fox, another plugin.
+	# Plugins: disable all except etsf_xc, which has no release.
+	econf \
+		$(use_enable mpi) \
+		--disable-bigdft \
+		--disable-etsf_io \
+		--disable-fox \
+		--disable-netcdf \
+		--disable-wannier90 \
+		--disable-xmlf90 \
+		--with-linalg-libs="-L/usr/lib -lblas -llapack" \
+		--with-cc-optflags="${CFLAGS}" \
+		--with-fc-optflags="${FFLAGS}" \
+		--with-fc-ld-optlibs='-lpthread' \
+		FC="${FORTRANC}" \
+		CC="$(tc-getCC)" \
+		LD="$(tc-getLD)" \
+		|| die "configure failed"
+
+	if use mpi; then
+		emake multi || die "make multi failed"
+	else
+		emake || die "make failed"
+	fi
+}
+
+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 ${REPORT} )
+	done
+
+	elog "The test results will be installed as summary_tests.tar.gz."
+}
+
+src_install() {
+	emake DESTDIR="${D}" install || die "install failed"
+
+	if use test; then
+		dodoc tests/summary_tests.tar.gz
+	fi
+
+	dodoc KNOWN_PROBLEMS README
+}
diff --git a/sci-physics/abinit/files/5.3.4-change-default-directories.patch b/sci-physics/abinit/files/5.3.4-change-default-directories.patch
new file mode 100644
index 0000000..1bbbd15
--- /dev/null
+++ b/sci-physics/abinit/files/5.3.4-change-default-directories.patch
@@ -0,0 +1,34 @@
+diff -urN abinit-5.3.4.orig/config/m4/init.m4 abinit-5.3.4/config/m4/init.m4
+--- abinit-5.3.4.orig/config/m4/init.m4	2007-05-08 23:23:04.000000000 -0700
++++ abinit-5.3.4/config/m4/init.m4	2007-05-08 23:25:19.000000000 -0700
+@@ -207,14 +207,14 @@
+  fi
+ 
+  dnl Set-up all directory names
+- abinit_bindir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/bin"
+- abinit_chkdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/tests"
++ abinit_bindir="${abinit_prefix}/bin"
++ abinit_chkdir="${abinit_prefix}/share/abinit/tests"
+  abinit_datdir="${abinit_prefix}/abinit"
+- abinit_docdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/doc"
+- abinit_incdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/include"
+- abinit_libdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/lib"
+- abinit_mandir="${abinit_prefix}/abinit/man"
+- abinit_rundir="${abinit_prefix}/abinit/bin"
++ abinit_docdir="${abinit_prefix}/share/doc/abinit-${ABINIT_VERSION_BASE}"
++ abinit_incdir="${abinit_prefix}/include"
++ abinit_libdir="${abinit_prefix}/lib"
++ abinit_mandir="${abinit_prefix}/share/man/man"
++ abinit_rundir="${abinit_prefix}/bin"
+  abinit_wwwdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/www"
+ 
+  dnl Substitute all variables
+@@ -288,7 +288,7 @@
+  fi
+  ABINIT_VERSION_BUILD=`date '+%Y%m%d'`
+ 
+- ABINIT_VERSION_BASE="${ABINIT_VERSION_MAJOR}.${ABINIT_VERSION_MINOR}"
++ ABINIT_VERSION_BASE="${ABINIT_VERSION_MAJOR}.${ABINIT_VERSION_MINOR}.${ABINIT_VERSION_MICRO}"
+ 
+  dnl Make numbers available to source files
+  AC_DEFINE_UNQUOTED(ABINIT_VERSION,"${ABINIT_VERSION}",