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authorHonza Macháček <Hloupy.Honza@centrum.cz>2012-04-20 13:39:39 +0200
committerHonza Macháček <Hloupy.Honza@centrum.cz>2012-04-20 13:39:39 +0200
commite5021743306a42e0f90557907dcc58aac185790b (patch)
treeb6742400369d36b1ec1e39a4e1a7313a35e6b66b /sci-physics
parent[sci-chemistry/gromacs] Also add http mirror git uri (diff)
downloadsci-e5021743306a42e0f90557907dcc58aac185790b.tar.gz
sci-e5021743306a42e0f90557907dcc58aac185790b.tar.bz2
sci-e5021743306a42e0f90557907dcc58aac185790b.zip
sci-physics/abinit-6.12.* improved to find uudecode, a patch created for that by mistake removed once more. Several packages related to Abinit, including sci-physics/elk, version-bumped.
Diffstat (limited to 'sci-physics')
-rw-r--r--sci-physics/abinit/ChangeLog4
-rw-r--r--sci-physics/abinit/abinit-6.12.2.ebuild8
-rw-r--r--sci-physics/abinit/abinit-6.12.3.ebuild8
-rw-r--r--sci-physics/abinit/files/6.12.1-gui-conf.patch12
-rw-r--r--sci-physics/atompaw/ChangeLog8
-rw-r--r--sci-physics/atompaw/Manifest10
-rw-r--r--sci-physics/atompaw/atompaw-3.0.1-r1.ebuild68
-rw-r--r--sci-physics/atompaw/atompaw-3.0.1.4.ebuild70
-rw-r--r--sci-physics/atompaw/atompaw-3.0.1.ebuild66
-rw-r--r--sci-physics/elk/ChangeLog7
-rw-r--r--sci-physics/elk/Manifest5
-rw-r--r--sci-physics/elk/elk-1.4.18.ebuild115
12 files changed, 212 insertions, 169 deletions
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
+}