17 files changed, 291 insertions, 177 deletions
diff --git a/sci-libs/fox/ChangeLog b/sci-libs/fox/ChangeLog
index 791c95e0e..5ab07b16a 100644
--- a/sci-libs/fox/ChangeLog
+++ b/sci-libs/fox/ChangeLog
@@ -1,7 +1,14 @@
 # ChangeLog for sci-libs/fox
-# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*fox-4.1.2 (19 Apr 2012)
+
+  19 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz> +fox-4.1.2.ebuild,
+  metadata.xml:
+  A version bump to 4.1.2. Not moved to autotools-utils, does not like out of
+  the tree compilation. Metadata improved.
+
   24 Jun 2011; Justin Lecher <jlec@gentoo.org> fox-4.0.4.ebuild,
   fox-4.1.0.ebuild:
   Fix CVS Header , remove LICENSE from installation
diff --git a/sci-libs/fox/Manifest b/sci-libs/fox/Manifest
index 9ae58c583..8900de148 100644
--- a/sci-libs/fox/Manifest
+++ b/sci-libs/fox/Manifest
@@ -1,2 +1,3 @@
-DIST FoX-4.0.4-full.tar.gz 503516 RMD160 856aaf50564dd0d35e86f133e4fb1fbe7aa11ed3 SHA1 01ee568543cd17f14b6a63de177e6796f189ccb2 SHA256 219db37dcda0b11fa602170d76da086fe140cbfcbd9f8620a00482398c48836e
-DIST FoX-4.1.0-full.tar.gz 1018847 RMD160 0eabc391c89ba5f132811f803c4dfe53e6fe5812 SHA1 0ebf95734aa4f6f656c8b7e73e4cd411d6fd2870 SHA256 8e7992ae6391178768bb58c230424a430ed57693a3cc7c4c22001ddc682910ff
+DIST FoX-4.0.4-full.tar.gz 503516 SHA256 219db37dcda0b11fa602170d76da086fe140cbfcbd9f8620a00482398c48836e SHA512 b2b6cd97118799df99013114de725e045ecc642f361e2871b269bc987e3a18aa84c47c54227ac8b1741f0f06d1965bcc8ce0123da31f69777f25f01ad9ccbf22 WHIRLPOOL b480840e0eb70336f235ea4825399b3d1a8fbdc6c3795cd1e8e92921528231197b25448d433b4df92150aa0a7bc51a3d39f0806256e15f26587fb40dec5404ed
+DIST FoX-4.1.0-full.tar.gz 1018847 SHA256 8e7992ae6391178768bb58c230424a430ed57693a3cc7c4c22001ddc682910ff SHA512 80f0675d1e5940fd36f24499f0a2ce2d9e6ce229abcd0b8ea18de83a38ca099d01d8f29cbeec441363da50909433e492a6049379510ae5bcf9e16bc6969fb9dd WHIRLPOOL a3f20bef681b24664703892d926401ce266ea96a17d3f9290dd997a903da462c0d63dcb374da01911d0f670d29bf232f3831fa38fd1d6078525d212d8f6ccc10
+DIST FoX-4.1.2-full.tar.gz 1025375 SHA256 99f660a3d3cf9b9eb50e36d67dac3b80cfac92473462c3d6f3b340ba8d7c9b24 SHA512 bfd994768f4b8067cf2859949d51723c851521c444ba6a342901ae5e6ae86ed2832d59eac5f29048e1c2e5b27af6d1be4e7f026062832d650d894a865f1827c1 WHIRLPOOL 4f665380ae0e3c69efa5b9448d32d866efda6fa6e853bf1016088c45f704cafaa389cf0342041d0e07461ea32622fe967f3626668e153b316f2b162e08f0195d
diff --git a/sci-libs/fox/fox-4.1.2.ebuild b/sci-libs/fox/fox-4.1.2.ebuild
new file mode 100644
index 000000000..de3ba9f7b
--- /dev/null
+++ b/sci-libs/fox/fox-4.1.2.ebuild
@@ -0,0 +1,61 @@
+# Copyright 1999-2012 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=4
+
+inherit eutils
+
+MY_PN="FoX"
+MY_P="${MY_PN}-${PV}"
+
+DESCRIPTION="A library designed to allow the easy use of XML from Fortran"
+HOMEPAGE="http://www1.gly.bris.ac.uk/~walker/FoX/"
+SRC_URI="http://www1.gly.bris.ac.uk/~walker/FoX/source/${MY_P}-full.tar.gz"
+
+LICENSE="BSD ZLIB"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="debug doc +dom +fast +sax +wcml +wkml +wxml"
+
+S="${WORKDIR}/${MY_P}"
+
+DOCS=( README.FoX.txt Changelog )
+
+FORTRAN_STANDARD=90
+
+src_prepare() {
+	epatch "${FILESDIR}"/4.0.4-install-customizations.patch
+}
+
+src_configure() {
+		econf --prefix=/usr \
+		$(use_enable debug) \
+		$(use_enable dom) \
+		$(use_enable fast) \
+		$(use_enable sax) \
+		$(use_enable wcml) \
+		$(use_enable wkml) \
+		$(use_enable wxml) \
+		FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}"
+}
+
+src_compile() {
+	emake -j1 || die "make failed"
+}
+
+src_test() {
+	emake -j1 check || die "make check failed"
+	einfo "Please look at the last few RESULT lines for a summary."
+}
+
+src_install() {
+	sed -i -e's%^comp_prefix=.*$%comp_prefix=/usr%' \
+		-e's%comp_prefix/finclude%comp_prefix/lib/finclude%' \
+		FoX-config
+	emake -j1 DESTDIR="${D}" install || die "make install failed"
+	dodoc README.FoX.txt Changelog || die "dodoc failed"
+	if use doc; then
+		dohtml -r DoX/ || die "installing the HTML docs failed"
+	fi
+}
diff --git a/sci-libs/fox/metadata.xml b/sci-libs/fox/metadata.xml
index 0ad2e28c6..0d10e1027 100644
--- a/sci-libs/fox/metadata.xml
+++ b/sci-libs/fox/metadata.xml
@@ -6,10 +6,11 @@
     <email>sci@gentoo.org</email>
   </maintainer>
   <use>
-    <flag name="dom">Automatically generated description for dom</flag>
-    <flag name="fast">Automatically generated description for fast</flag>
-    <flag name="sax">Automatically generated description for sax</flag>
-    <flag name="wcml">Automatically generated description for wcml</flag>
-    <flag name="wxml">Automatically generated description for wxml</flag>
+    <flag name="dom">Compile the W3C document object model module</flag>
+    <flag name="fast">Compile with best known optimization flags</flag>
+    <flag name="sax">Compile the streaming, validating parser based on java's Simple API for XML</flag>
+    <flag name="wcml">Compile the module for a subset of the Chemical Markup Language</flag>
+    <flag name="wkml">Compile the module for the creation of KML documents used by applications such as Google Earth</flag>
+    <flag name="wxml">Compile the XML writer used to sequentially create arbitrary XML documents quickly with minimal memory requirements</flag>
   </use>
 </pkgmetadata>
diff --git a/sci-libs/libxc/Manifest b/sci-libs/libxc/Manifest
index 119f00634..fa863cf20 100644
--- a/sci-libs/libxc/Manifest
+++ b/sci-libs/libxc/Manifest
@@ -1 +1,2 @@
 DIST libxc-1.1.0.tar.gz 543168 SHA256 b75fb2a73a9e2d75e250cc77b71d5485c8e9b11c3b25c91899c366e217283c57 SHA512 a5ed3a4a7a7abaa11321fe877d01ff00132eab976205213e578cd57fbd2073eea00ce3a3afc188e30ebbd31deb32468c4472313df9992e8d9e3148e6f619936b WHIRLPOOL 8ff70acb2ee65b3373942b71e350fe146f1c205aa4c09dbb22adc04227ba6888482ce412b3e843a9402efd51f9cf6f478f9c65b97305b2035185e59b35484d9f
+DIST libxc-1.2.0.tar.gz 895527 SHA256 ee441c3cde2e2bd87828186aa17f6e4438d17b38634c5d29bb12d3b7554461fb SHA512 3ac0fd07e40db4feb0f0a4ebe1358fdd4de0fff21f6dd369895c658a14cd3bafedbbc374b89f68320401dfcfe16a6230e05403fdaccfcbebb98349ca06593125 WHIRLPOOL 66439bf65a656567c0e52a4ee20b206658a9185bdbd3e045daca00bf01ba0199ccbedea3e5034cf90fbc36dbc04d9666cde8bde46e2577ffd160800f1718bd2a
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 60fb829a3..23db32a69 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
 # Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+  19 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
+  -files/6.12.1-gui-conf.patch, abinit-6.12.2.ebuild, abinit-6.12.3.ebuild:
+  GUI configuration corrected (to find uudecode).
+
 *abinit-6.12.3 (13 Apr 2012)
 
   13 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
diff --git a/sci-physics/abinit/abinit-6.12.2.ebuild b/sci-physics/abinit/abinit-6.12.2.ebuild
index ddb435514..5fa4e8c1e 100644
--- a/sci-physics/abinit/abinit-6.12.2.ebuild
+++ b/sci-physics/abinit/abinit-6.12.2.ebuild
@@ -114,12 +114,6 @@ src_prepare() {
 	epatch "${FILESDIR}"/6.12.1-libabinit_options.patch
 	eautoreconf
 
-	if use gui; then
-		epatch "${FILESDIR}"/6.12.1-gui-conf.patch
-		pushd "${S}"/gui > /dev/null
-		./autogen.sh
-		popd
-	fi
 }
 
 src_configure() {
@@ -218,7 +212,7 @@ src_configure() {
 		pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
 		mkdir -p gui
 		cd gui
-		ECONF_SOURCE="${S}"/gui econf
+		ECONF_SOURCE="${S}"/gui econf UUDECODE="uudecode"
 	fi
 }
 
diff --git a/sci-physics/abinit/abinit-6.12.3.ebuild b/sci-physics/abinit/abinit-6.12.3.ebuild
index d18f5ffdd..aacc90ae4 100644
--- a/sci-physics/abinit/abinit-6.12.3.ebuild
+++ b/sci-physics/abinit/abinit-6.12.3.ebuild
@@ -114,12 +114,6 @@ src_prepare() {
 	epatch "${FILESDIR}"/6.12.1-libabinit_options.patch
 	eautoreconf
 
-	if use gui; then
-		epatch "${FILESDIR}"/6.12.1-gui-conf.patch
-		pushd "${S}"/gui > /dev/null
-		./autogen.sh
-		popd
-	fi
 }
 
 src_configure() {
@@ -218,7 +212,7 @@ src_configure() {
 		pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
 		mkdir -p gui
 		cd gui
-		ECONF_SOURCE="${S}"/gui econf
+		ECONF_SOURCE="${S}"/gui econf UUDECODE="uudecode"
 	fi
 }
 
diff --git a/sci-physics/abinit/files/6.12.1-gui-conf.patch b/sci-physics/abinit/files/6.12.1-gui-conf.patch
deleted file mode 100644
index 95c12b354..000000000
--- a/sci-physics/abinit/files/6.12.1-gui-conf.patch
+++ /dev/null
@@ -1,12 +0,0 @@
-diff -Naur abinit-6.12.1_orig/gui/configure abinit-6.12.1/gui/configure
---- gui/configure	2012-01-30 19:42:26.000000000 +0000
-+++ gui/configure	2012-03-16 13:38:54.000000000 +0000
-@@ -3143,7 +3143,7 @@
-   test -z "$as_dir" && as_dir=.
-     for ac_exec_ext in '' $ac_executable_extensions; do
-   if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then
--    ac_cv_prog_UUDECODE="no"
-+    ac_cv_prog_UUDECODE="$as_dir/$ac_word$ac_exec_ext"
-     $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5
-     break 2
-   fi
diff --git a/sci-physics/atompaw/ChangeLog b/sci-physics/atompaw/ChangeLog
index 4687ce8d7..4b4190ad1 100644
--- a/sci-physics/atompaw/ChangeLog
+++ b/sci-physics/atompaw/ChangeLog
@@ -1,7 +1,13 @@
 # ChangeLog for sci-physics/atompaw
-# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*atompaw-3.0.1.4 (18 Apr 2012)
+
+  18 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
+  -atompaw-3.0.1.ebuild, -atompaw-3.0.1-r1.ebuild, +atompaw-3.0.1.4.ebuild:
+  A version bump to 3.0.1.4 with transition to autotools-utils.
+
 *atompaw-3.0.1.3 (09 Nov 2011)
 
   09 Nov 2011; Honza Macháček <Hloupy.Honza@centrum.cz>
diff --git a/sci-physics/atompaw/Manifest b/sci-physics/atompaw/Manifest
index 6e5c674e3..248f57934 100644
--- a/sci-physics/atompaw/Manifest
+++ b/sci-physics/atompaw/Manifest
@@ -1,5 +1,5 @@
-DIST atompaw-3.0.1.3.tar.gz 3786758 RMD160 28fb2e2180060aea7250636ac4d144d5fd0de2b1 SHA1 8fa1978d7fb1a6dd7682053fe38852f154e1dacd SHA256 1b5bcdf2c3927c93f518ef23b448c04513c74a71f32454c3f381e0fc2b7163b8
-DIST atompaw-3.0.1.tar.gz 3785332 RMD160 68c8f80be0f86fab7373f299fee54f0b5680ead3 SHA1 86d1259a516e7daa0902e259d07a4de93021de2a SHA256 ec1cf11d72227e16ada9b695c1cdd160fee8d58a10b10ba903029779bc5ea73f
-DIST atompaw-usersguide.pdf 164947 RMD160 41a3e4691a33820ce566cd99b9c0bc1f9a4a5f0f SHA1 304788ec317ecda0472a767fd001f885e677982c SHA256 cdd33185faa37bde41a875b02d62e05ac647ccec4bd800fc15848135b1c5a426
-DIST atompaw.pdf 334715 RMD160 63ad12eecbfeca830eac57ea70d38e94ded3db6b SHA1 5d7d4a420dfb2f222cc3c441323a130f59e772f8 SHA256 10a70f0c31e4a0a06e31b2b922b938742daf8635c87b95f5a48609555d9397ed
-DIST atompawEqns.pdf 198480 RMD160 8f0c5a5f4b75f9527fbec368243d6059968c1188 SHA1 5bf54dd4a67a02cd7698bdd1d1c84202b5b0beba SHA256 181af33190b77b630c1fb94882d0cbc5f79281346f93c25ef4d645806f2c1dc6
+DIST atompaw-3.0.1.3.tar.gz 3786758 SHA256 1b5bcdf2c3927c93f518ef23b448c04513c74a71f32454c3f381e0fc2b7163b8 SHA512 1a5b6d8bbbbdb4987a7a5b2c2f04abed30e9e287f0dc57b3134a23ab7f4ceac2326df6c157c086f0a6f5414a66477e7bf2d9bf4f96f258dd8bec4feeeb929722 WHIRLPOOL 95b4c9468fa39ddaa0c0f6db1349796204fa34a81f6441b20df367d69da7653d2ec7eace0b1a538384b7cba4f6909bad8df30eef7137942b416119116b5959ae
+DIST atompaw-3.0.1.4.tar.gz 3785477 SHA256 69c303d28c3698e3ec640b8405b3bfe78a61c2e5a1f5abef92be652040b634db SHA512 adb4fb99647214cae48e81102ca46dfd8500adb5c6a97a62feb0ce2fe48a7fb699f3c873a6b8cef6cd4f856095ab6bbd85f2a941ebcd43ef3d212de22352ed17 WHIRLPOOL 9bfcc48f6d917b33360938186fc55f9982aa25df874380706c17cfe0d6a784379504de737ec2a0eb281e3866011130bf63a92958ff8d6b0308306e4ff1198052
+DIST atompaw-usersguide.pdf 164944 SHA256 f58a989a865e0acb7c58de49ae949446df12660bb93a12f0f59cee2f92ab4afa SHA512 8403647887e0330e75010e989a43bd4b2aa49f0351d7338086715fa05a47580eaa4f733df4211d39d19d742bba3663854c1375c19b374dc29692a9cbe2a83095 WHIRLPOOL 42e379fc40f8d03cdc9022b91dfba34209e320026abdd49d0367626442091a0b8fcd73d3628d2fd9949e654d95dd29ec29183b1a307157769837fc1e54390373
+DIST atompaw.pdf 334715 SHA256 10a70f0c31e4a0a06e31b2b922b938742daf8635c87b95f5a48609555d9397ed SHA512 287f521a10b144bf8c6f59f21a025a8b1e0f6a23d576abe347be8fd41f8577dec0febd289618384d6e7796f0f68bfb41672c9d6d7bf1658f245cff20463ffff7 WHIRLPOOL ae9280374777fd61751d60b4944f3d21aceb86d3b6f4879ced1c26200e33d8ebb08b99e81cffd562e43643274f83bd6d4263360d399acee7eefad3f36791606a
+DIST atompawEqns.pdf 198480 SHA256 181af33190b77b630c1fb94882d0cbc5f79281346f93c25ef4d645806f2c1dc6 SHA512 e0b7fcbce906ceda953e000378786d3b679b68a5dd3d1a53b8d41a61e80bfa5a83fa04a6b8945b274ffe351491bffe3bdd801937f1b838f90b21e462fb09b9e9 WHIRLPOOL 9ba9c90df0c368b935fce573a6be30c492819fda4245f10d217bff3576f82b21036aeee837c28e5b694220f2749a6cf7e26b797b2690624dbfbc3bb598cc2bdd
diff --git a/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild b/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild
deleted file mode 100644
index 1b26df15b..000000000
--- a/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild
+++ /dev/null
@@ -1,68 +0,0 @@
-# Copyright 1999-2011 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-EAPI=3
-
-inherit 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/${P}.tar.gz
-	doc? ( http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf
-		http://www.wfu.edu/~natalie/papers/pwpaw/atompaw-usersguide.pdf
-		http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc libxc"
-
-RDEPEND="virtual/lapack
-	virtual/blas
-	libxc? ( sci-libs/libxc[fortran] )"
-DEPEND="${RDEPEND}
-	dev-util/pkgconfig"
-
-src_unpack() {
-	unpack ${P}.tar.gz
-	if use doc; then
-		cp "${DISTDIR}"/atompaw.pdf "${S}"/
-		cp "${DISTDIR}"/atompaw-usersguide.pdf "${S}"/
-		cp "${DISTDIR}"/atompawEqns.pdf "${S}"/
-	fi
-}
-
-src_prepare() {
-	cd ${S}
-	epatch ${FILESDIR}/3.0.1-longplot.patch	      
-}
-
-src_configure() {
-	local modules="-I/usr/$(get_libdir)/finclude"
-	econf $(use_enable libxc) \
-	--with-linalg-flavor=atlas \
-	--with-linalg-libs="$(pkg-config --libs lapack)" \
-	--with-libxc-incs="${modules}" \
-	--with-libxc-libs="${libs} -lxc" \
-	FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \
-	CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}"
-}
-
-src_compile() {
-	emake -j1 || die "Make failed"
-}
-
-src_test() {
-	emake check || die "Test failed"
-}
-
-src_install() {
-	emake DESTDIR="${D}" install || die "make install failed"
-
-	dodoc README || die "dodoc failed"
-
-	if use doc; then
-		dodoc atompaw.pdf atompaw-usersguide.pdf atompawEqns.pdf || die "PDF doc failed"
-	fi
-}
diff --git a/sci-physics/atompaw/atompaw-3.0.1.4.ebuild b/sci-physics/atompaw/atompaw-3.0.1.4.ebuild
new file mode 100644
index 000000000..3e7a2d945
--- /dev/null
+++ b/sci-physics/atompaw/atompaw-3.0.1.4.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2012 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=4
+
+inherit autotools-utils 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/${P}.tar.gz
+	doc? ( http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf
+		http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc libxc"
+
+RDEPEND="virtual/lapack
+	virtual/blas
+	libxc? ( sci-libs/libxc[fortran] )"
+DEPEND="${RDEPEND}
+	dev-util/pkgconfig"
+
+DOCS=( README  )
+
+FORTRAN_STANDARD=90
+
+src_unpack() {
+	unpack ${P}.tar.gz
+	if use doc; then
+		cp "${DISTDIR}"/atompaw.pdf "${S}"/doc/
+		cp "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/
+	fi
+}
+
+src_prepare() {
+	epatch ${FILESDIR}/3.0.1-longplot.patch
+}
+
+src_configure() {
+	local modules="-I/usr/$(get_libdir)/finclude"
+	local myeconfargs=(
+		$(use_enable libxc)
+		--with-linalg-flavor=atlas
+		--with-linalg-libs="$(pkg-config --libs lapack)"
+		--with-libxc-incs="-I/usr/include ${modules}"
+		--with-libxc-libs="${libs} -lxc"
+		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
+
+	if use doc; then
+		dodoc doc/atompaw.pdf doc/atompawEqns.pdf || die "PDF doc failed"
+	fi
+}
diff --git a/sci-physics/atompaw/atompaw-3.0.1.ebuild b/sci-physics/atompaw/atompaw-3.0.1.ebuild
deleted file mode 100644
index 41a0bcf4f..000000000
--- a/sci-physics/atompaw/atompaw-3.0.1.ebuild
+++ /dev/null
@@ -1,66 +0,0 @@
-# Copyright 1999-2011 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-EAPI=3
-
-inherit 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/${P}.tar.gz
-	doc? (
-		http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf
-		http://www.wfu.edu/~natalie/papers/pwpaw/atompaw-usersguide.pdf
-		http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc libxc"
-
-RDEPEND="
-	virtual/lapack
-	virtual/blas
-	libxc? ( sci-libs/libxc[fortran] )"
-DEPEND="${RDEPEND}
-	dev-util/pkgconfig"
-
-src_unpack() {
-	unpack ${P}.tar.gz
-	if use doc; then
-		cp "${DISTDIR}"/atompaw.pdf "${S}"/
-		cp "${DISTDIR}"/atompaw-usersguide.pdf "${S}"/
-		cp "${DISTDIR}"/atompawEqns.pdf "${S}"/
-	fi
-}
-
-src_configure() {
-	local modules="-I/usr/$(get_libdir)/finclude"
-	econf $(use_enable libxc) \
-	--with-linalg-flavor=atlas \
-	--with-linalg-libs="$(pkg-config --libs lapack)" \
-	--with-libxc-incs="${modules}" \
-	--with-libxc-libs="${libs} -lxc" \
-	FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \
-	CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}"
-}
-
-src_compile() {
-	emake -j1 || die "Make failed"
-}
-
-src_test() {
-	emake check || die "Test failed"
-}
-
-src_install() {
-	emake DESTDIR="${D}" install || die "make install failed"
-
-	dodoc README || die "dodoc failed"
-
-	if use doc; then
-		dodoc atompaw.pdf atompaw-usersguide.pdf atompawEqns.pdf || die "PDF doc failed"
-	fi
-}
diff --git a/sci-physics/elk/ChangeLog b/sci-physics/elk/ChangeLog
index 34c82fc89..b184d1ce9 100644
--- a/sci-physics/elk/ChangeLog
+++ b/sci-physics/elk/ChangeLog
@@ -1,7 +1,12 @@
 # ChangeLog for sci-physics/elk
-# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*elk-1.4.18 (18 Apr 2012)
+
+  18 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz> +elk-1.4.18.ebuild:
+  A version bump to 1.4.18.
+
 *elk-1.4.5 (14 Dec 2011)
 
   14 Dec 2011; Honza Macháček <Hloupy.Honza@centrum.cz> elk-1.3.15.ebuild,
diff --git a/sci-physics/elk/Manifest b/sci-physics/elk/Manifest
index 691e2f6ba..88dada474 100644
--- a/sci-physics/elk/Manifest
+++ b/sci-physics/elk/Manifest
@@ -1,2 +1,3 @@
-DIST elk-1.3.15.tgz 1834503 RMD160 584eab8a026abad3b669cafee75103d6089025c2 SHA1 e4cc2e696f90c96b3a07f5b9a12de50c0123e9a0 SHA256 6e35d1c3830aeea0fe8016e25efa9debddf0e4bd90fe910520a35608a2f81fcf
-DIST elk-1.4.5.tgz 1851444 RMD160 a73b86ef1e4843ec23962e56973dc1082f8f7d8f SHA1 8de1a106ccfbd1a0014ecd83d61df677ec00da23 SHA256 84c4e19da2d76e25f0395343aa6e7ecf883a9a870d7b1c5256336e220d1fbb9e
+DIST elk-1.3.15.tgz 1834503 SHA256 6e35d1c3830aeea0fe8016e25efa9debddf0e4bd90fe910520a35608a2f81fcf SHA512 ab18c78616447abdba7f82215cf4f10ff26eb052e47693266246b60225a436d21f877f5b97f3e62c0a91d2fd267c9e017568e8d5a80e488835d279d40494cf1e WHIRLPOOL fc528cd6e4ca0ddf42996f126aaf7cbcfd65bcc284faa9c0eb84cfcfae1055f20c83aea8dc5bfefeacb4a29755980f5881ec2fecc8fabb648727780c4b1cea93
+DIST elk-1.4.18.tgz 1855415 SHA256 14df155a254f0d0b24ffa98a3a25130e1d55f652f87f1f20781bb45169a20281 SHA512 5bcae5903aa6880fa43000f43e2f6aa5789d20107e0dd004104821ae39e663d6e1172441c3b69ed214fde0b6786450be16800116c0905288afc6fe644c8190a2 WHIRLPOOL dddb8b8eca84484bb1d8906ba2ccb53659509f7624b7b602758857c81a3f7e81c0f8b17037c1dd760c5bfdec47e57e92d88fda956bd1c2feb3b41bb42812925f
+DIST elk-1.4.5.tgz 1851444 SHA256 84c4e19da2d76e25f0395343aa6e7ecf883a9a870d7b1c5256336e220d1fbb9e SHA512 8fdecd8e11a3b53e8a891963d005d753cc06ce3c5a27cfe581f2d64edbdc620551d3a91ce31be31f50fce60beb402562662b215e64ae93e4dbf507910c31e7be WHIRLPOOL 6b463d09e1e5e75e8a08cc9224a57d93927ce1998653872ace73f1bf9bcf3f9a826eaea284319bdb85f19da16523430ff62496171a4b497103f8bc45d00e2391
diff --git a/sci-physics/elk/elk-1.4.18.ebuild b/sci-physics/elk/elk-1.4.18.ebuild
new file mode 100644
index 000000000..27b3f3af5
--- /dev/null
+++ b/sci-physics/elk/elk-1.4.18.ebuild
@@ -0,0 +1,115 @@
+# Copyright 1999-2012 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI="4"
+
+inherit eutils fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW) code with advanced features."
+HOMEPAGE="http://elk.sourceforge.net/"
+SRC_URI="mirror://sourceforge/${PN}/${P}.tgz"
+
+LICENSE="GPL-3"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="-debug lapack libxc mpi openmp perl test"
+
+RDEPEND="lapack? ( virtual/blas
+		virtual/lapack )
+	libxc? ( =sci-libs/libxc-1*[fortran] )
+	mpi? ( virtual/mpi )"
+DEPEND="${RDEPEND}
+	perl? ( dev-lang/perl )
+	dev-util/pkgconfig"
+
+DOCS=( README  )
+
+FORTRAN_STANDARD=90
+
+pkg_setup() {
+	# fortran-2.eclass does not handle mpi wrappers
+	if use mpi; then
+		export FC="mpif90"
+		export F77="mpif77"
+		export CC="mpicc"
+		export CXX="mpic++"
+	else
+		tc-export FC F77 CC CXX
+	fi
+
+	if use openmp; then
+		FORTRAN_NEED_OPENMP=1
+	fi
+
+	fortran-2_pkg_setup
+
+	if use openmp; then
+		export FC="${FC} -fopenmp"
+		export F77="${F77} -fopenmp"
+		export CC="${CC} -fopenmp"
+		export CXX="${CXX} -fopenmp"
+	fi
+}
+
+src_prepare() {
+	if use libxc; then
+		sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile"
+	fi
+	if use mpi; then
+		sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile"
+	fi
+}
+
+src_configure() {
+	FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O3 -funroll-loops -ffast-math}}"
+	FCFLAGS="${FCFLAGS} -I/usr/include -I/usr/$(get_libdir)/finclude"
+	CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}"
+	CXXFLAGS="${CXXFLAGS:- ${CFLAGS}}"
+	export FCFLAGS CFLAGS CXXFLAGS
+	echo "MAKE = make" > make.inc
+	echo "F90 = $FC" >> make.inc
+	echo "F90_OPTS = $FCFLAGS" >> make.inc
+	echo "F77 = $FC" >> make.inc
+	echo "F77_OPTS = $FCFLAGS" >> make.inc
+	echo "CC = ${CC}" >> make.inc
+	echo "CXX = ${CXX}" >> make.inc
+	echo "CFLAGS = ${CFLAGS}" >> make.inc
+	echo "CXXFLAGS = ${CXXFLAGS}" >> make.inc
+	echo "LD = $(tc-getLD)" >> make.inc
+	echo "AR = ar" >> make.inc
+	echo "LIB_SYS = " >> make.inc
+	if use lapack; then
+		echo "LIB_LPK = $(pkg-config --libs lapack)" >> make.inc
+	else
+		echo "LIB_LPK = lapack.a blas.a" >> make.inc
+	fi
+	echo "LIB_FFT = fftlib.a" >> make.inc
+	if use libxc; then
+		echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc
+		echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc
+	fi
+}
+
+src_compile() {
+	emake -j1 || die "make failed"
+}
+
+src_test() {
+	emake test
+}
+
+src_install() {
+	dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup
+	dobin utilities/elk-bands
+	use perl && dobin utilities/xps_exc.pl utilities/se.pl
+	dodoc README
+	for doc in docs/*; do
+		dodoc $doc
+	done
+	insinto /usr/share/${P}
+	doins -r species
+	doins -r utilities
+	doins -r examples
+	doins -r tests
+}