abinit: bump to 5.4.4.

8 files changed, 229 insertions, 0 deletions

diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
new file mode 100644
index 0000000..5950641
--- /dev/null
+++ b/sci-physics/abinit/ChangeLog
@@ -0,0 +1,42 @@
+# ChangeLog for sci-physics/abinit
+# Copyright 1999-2006 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-physics/abinit/ChangeLog,v 1.6 2006/10/18 05:08:42 dberkholz Exp $
+
+  18 Oct 2006; Donnie Berkholz <dberkholz@gentoo.org>;
+  -files/fix-64bit-detection.patch,
+  -files/5.1.3-fix-blas-lapack-check.patch,
+  -files/change-default-directories.patch, -files/fix-test-tarball.patch,
+  -abinit-5.1.3.ebuild:
+  Pull old version.
+
+*abinit-5.2.3 (18 Oct 2006)
+
+  18 Oct 2006; Donnie Berkholz <dberkholz@gentoo.org>;
+  +files/5.2.3-fix-64bit-detection.patch,
+  +files/5.2.3-change-default-directories.patch, +abinit-5.2.3.ebuild:
+  Bump. This is the first release in the 5.x series officially considered
+  ready for production use.
+
+  07 Jul 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
+  Update to my new email address.
+
+  02 Jul 2006; Luis Medinas <metalgod@gentoo.org> metadata.xml:
+  Update metadata to sci-physics.
+
+  02 Jul 2006; Luis Medinas <metalgod@gentoo.org>
+  +files/fix-64bit-detection.patch,
+  +files/5.1.3-fix-blas-lapack-check.patch,
+  +files/change-default-directories.patch, +files/fix-test-tarball.patch,
+  +metadata.xml, +abinit-5.1.3.ebuild:
+  Moved from sci-chemistry/abinit to sci-physics/abinit.
+
+*abinit-5.1.3 (04 Jun 2006)
+
+  04 Jun 2006; Donnie Berkholz <dberkholz@gentoo.org>;
+  +files/fix-64bit-detection.patch,
+  +files/5.1.3-fix-blas-lapack-check.patch,
+  +files/change-default-directories.patch, +files/fix-test-tarball.patch,
+  +metadata.xml, +abinit-5.1.3.ebuild:
+  New package for ab initio calculations using density functional theory.
+  Requires gcc 4.1 to build, which is why I haven't added it until now.
+
diff --git a/sci-physics/abinit/Manifest b/sci-physics/abinit/Manifest
new file mode 100644
index 0000000..6afaba3
--- /dev/null
+++ b/sci-physics/abinit/Manifest
@@ -0,0 +1,7 @@
+AUX 5.2.3-change-default-directories.patch 1042 RMD160 451b0495104b3b889512cfc0eef2295674d26cfc SHA1 c498b6eaa7e90e5c4964036b49f8c3f15666b9e5 SHA256 2acb1cad4e02f3f5e1fde47cfebc51013da69b96e3da88abd5bd8c3ebde61d70
+AUX 5.2.3-fix-64bit-detection.patch 492 RMD160 286765a4fb7b06afd9f829799ad9cd9811711d32 SHA1 dc1c2691212da8b0e62407f0cfb82a83740deb86 SHA256 414be70962e0bdaffc51f9aacce5f5e171e046d7aeacf26d2706961c02501138
+AUX 5.3.4-change-default-directories.patch 1550 RMD160 02abf8695d4a12b0d47b96f86fedb05f65f0fde8 SHA1 03c6200cbe0458040cd3f7af42a28515b4c17b57 SHA256 3d493ed6f49924c248694d0de5aa0c66ac693b4ce5c6b3ce892471c9b2d7fbf7
+DIST abinit-5.4.4.tar.gz 33830853 RMD160 2b4859ef616f416c31a4bd99118010665952588e SHA1 8b6aed103990cd97b7c06a2f1554370bb43146fd SHA256 9f8edc734a5285fccd92e9f93ade465348f54f9b31ba682614f4f4ae13fcd0b5
+EBUILD abinit-5.4.4.ebuild 2304 RMD160 00ed3a73da87296718f710f431620d9087c2e001 SHA1 3ced1488bde1edaec16a1360368b16daa18bd3b2 SHA256 ddd377376f127c1e07eea96b147d85e1df290b9c2ee7cbb25608cd5ffb4bbf4f
+MISC ChangeLog 1694 RMD160 3a4c84d59313427a920f339a3d97b3778f7cc304 SHA1 7708fce193031dc4b35cff0322c5734cbe52e866 SHA256 b2cb60f0a592ce4f53627dae53b1b331004d24c87d9f13bbf0f5669fa297e41e
+MISC metadata.xml 256 RMD160 c1dd75e3f77bae7a5bd165e4d4592520e5f9f3ed SHA1 d0bd0c0728a0932c75ba6ee62a3610b0e948ddcf SHA256 1a34797175a4f62913c4dee4631b5141b08ddab164776021e52167239e16e1d8
diff --git a/sci-physics/abinit/abinit-5.4.4.ebuild b/sci-physics/abinit/abinit-5.4.4.ebuild
new file mode 100644
index 0000000..4197a47
--- /dev/null
+++ b/sci-physics/abinit/abinit-5.4.4.ebuild
@@ -0,0 +1,98 @@
+# 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="~amd64 ~ppc ~x86"
+IUSE="mpi test"
+
+RDEPEND="virtual/blas
+	virtual/lapack"
+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 "${FILESDIR}"/5.3.4-change-default-directories.patch
+	epatch "${FILESDIR}"/5.2.3-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="$(tc-getCC)" \
+		|| die "configure failed"
+
+	emake || die "make failed"
+}
+
+src_test() {
+	einfo "The tests take quite a while, on the order of 2-3 hours"
+	einfo "on a dual Athlon 2000+."
+	cd "${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
+}
diff --git a/sci-physics/abinit/files/5.2.3-change-default-directories.patch b/sci-physics/abinit/files/5.2.3-change-default-directories.patch
new file mode 100644
index 0000000..e535066
--- /dev/null
+++ b/sci-physics/abinit/files/5.2.3-change-default-directories.patch
@@ -0,0 +1,24 @@
+diff -urN abinit-5.2.3.orig/config/m4/init.m4 abinit-5.2.3/config/m4/init.m4
+--- abinit-5.2.3.orig/config/m4/init.m4	2006-10-17 21:09:23.000000000 -0700
++++ abinit-5.2.3/config/m4/init.m4	2006-10-17 21:09:12.000000000 -0700
+@@ -197,9 +197,9 @@
+ 
+   debian)
+    abinit_prefix="/usr"
+-   abinit_bindir="/usr/lib/abinit/${ABINIT_VERSION_BASE}/bin"
++   abinit_bindir="/usr/bin"
+    abinit_datdir="/usr/share/abinit"
+-   abinit_docdir="/usr/share/doc/abinit/${ABINIT_VERSION_BASE}"
++   abinit_docdir="/usr/share/doc/abinit-${ABINIT_VERSION_BASE}"
+    abinit_libdir="/usr/lib/abinit/${ABINIT_VERSION_BASE}/lib"
+    abinit_incdir="/usr/include/abinit/${ABINIT_VERSION_BASE}"
+    abinit_mandir="/usr/share/man"
+@@ -299,7 +299,7 @@
+  fi
+  ABINIT_VERSION_BUILD=`date '+%Y%m%d'`
+ 
+- ABINIT_VERSION_BASE="${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,"${ABINIT_VERSION}",
diff --git a/sci-physics/abinit/files/5.2.3-fix-64bit-detection.patch b/sci-physics/abinit/files/5.2.3-fix-64bit-detection.patch
new file mode 100644
index 0000000..baa6d38
--- /dev/null
+++ b/sci-physics/abinit/files/5.2.3-fix-64bit-detection.patch
@@ -0,0 +1,12 @@
+diff -urN abinit-5.2.3.orig/config/m4/init.m4 abinit-5.2.3/config/m4/init.m4
+--- abinit-5.2.3.orig/config/m4/init.m4	2006-10-17 21:05:17.000000000 -0700
++++ abinit-5.2.3/config/m4/init.m4	2006-10-17 21:07:10.000000000 -0700
+@@ -39,7 +39,7 @@
+   alpha*|powerpc*)
+    abi_cpu_model="${target_cpu}"
+    abi_cpu_64bits=`echo "${abi_cpu_model}" | grep '64$'`
+-   if test abi_cpu_64bits = ""; then
++   if test "${abi_cpu_64bits}" = ""; then
+     abi_cpu_64bits="no"
+     abi_cpu_bits="32"
+    else
diff --git a/sci-physics/abinit/files/5.3.4-change-default-directories.patch b/sci-physics/abinit/files/5.3.4-change-default-directories.patch
new file mode 100644
index 0000000..1bbbd15
--- /dev/null
+++ b/sci-physics/abinit/files/5.3.4-change-default-directories.patch
@@ -0,0 +1,34 @@
+diff -urN abinit-5.3.4.orig/config/m4/init.m4 abinit-5.3.4/config/m4/init.m4
+--- abinit-5.3.4.orig/config/m4/init.m4	2007-05-08 23:23:04.000000000 -0700
++++ abinit-5.3.4/config/m4/init.m4	2007-05-08 23:25:19.000000000 -0700
+@@ -207,14 +207,14 @@
+  fi
+ 
+  dnl Set-up all directory names
+- abinit_bindir="${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}",
diff --git a/sci-physics/abinit/files/digest-abinit-5.3.4 b/sci-physics/abinit/files/digest-abinit-5.3.4
new file mode 100644
index 0000000..1c975d2
--- /dev/null
+++ b/sci-physics/abinit/files/digest-abinit-5.3.4
@@ -0,0 +1,3 @@
+MD5 29597bf246d42a3c12c38c3b66aa62a5 abinit-5.3.4.tar.gz 28292542
+RMD160 7a4bf36e755d56ab8b85f0a609b847c582ff38c9 abinit-5.3.4.tar.gz 28292542
+SHA256 5f173483d798c99687d3706f110a98c7d4d8639e4222e7e3fb628d7cc6bf9ea1 abinit-5.3.4.tar.gz 28292542
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
new file mode 100644
index 0000000..56668dc
--- /dev/null
+++ b/sci-physics/abinit/metadata.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci-physics</herd>
+<maintainer>
+<email>dberkholz@gentoo.org</email>
+<name>Donnie Berkholz</name>
+</maintainer>
+</pkgmetadata>