Added sci-libs/wannier-2.0.1.1, the Linux didtribution packagers patched version from Launchpad. The favourite of the sci-physics/abinit developers.

Package-Manager: Portage-2.3.2, Repoman-2.3.1

5 files changed, 124 insertions, 65 deletions

diff --git a/sci-libs/wannier90/Manifest b/sci-libs/wannier90/Manifest
index 6702b0b7c..7f71ec13f 100644
--- a/sci-libs/wannier90/Manifest
+++ b/sci-libs/wannier90/Manifest
@@ -1,3 +1,3 @@
 DIST wannier90-1.2.tar.gz 5643731 SHA256 a76f88eef01c5a40aaa2c74ee393ede8a57bd9085f6b7f2ab656b50c1a30ece4 SHA512 323d078d0cdeeb361389600c39501410ca0da2879e8ba7d3262b49a76167e5385c09484eed47607d83feb68c9f16cfb6cdcebe89f7846157e0c71a8598238853 WHIRLPOOL 7e3288a85188d4661467d293d4a57973e926bf5a3b5736f83ed51e16a0fc4155ecc86e4e6dc6638b8a4d6373ca718ffd341cc11bde466d0166c1e591a9ac33c5
-DIST wannier90-2.0.0.tar.gz 46152394 SHA256 e419a721541c16e89de66b8eefe2c41042dd7ff78a1fe8d61554a00efe79382a SHA512 87d9ae7f0f0343e188711bc2cea2124ef1e13482e87a0c2a7d250c36cabeb9d0a6da9eba92781763a0e65665c48f9bae4cd12f5f5390f87a7e8f15c508411efc WHIRLPOOL d9bafcab196735d182518dd71fc4ae7618a4cfdd9e21e450f4d5b17b288bb1ae43c93bdde5d3fca0b180377881f7443b00cc7dc989edf5609133271d01c00bab
+DIST wannier90-2.0.1.1.tar.gz 48721795 SHA256 64f44d4abc0a226eb102c2aef8e0d0282eecdebd2023e455fb0d752815c9595b SHA512 1522ee93314f265debe6d565d47007c591e2ee3d192fbe4ef05851aea49bce67398e16f5f59c384ddc3e2fc8660ce46d4bd48065789f09595a4c6166025622b7 WHIRLPOOL e108780424d75f6ee0eee92830731b13b17349af8e2d23189e26fc53ed657e18cb80376a514c53c8f54d0cf19c236b3cc6ecb1d6739c85de3f9cc37ec6200d88
 DIST wannier90-2.0.1.tar.gz 48327121 SHA256 05ea7cd421a219ce19d379ad6ae3d9b1a84be4ffb367506ffdfab1e729309e94 SHA512 dd7deb43272a9f0697ae59e272816a74ae15f7adb95f4c5d7ea40d98f8293b678da97494df471077a096f207d7a194a27ed09d6f456a8db20fe91e4f596602c4 WHIRLPOOL ab153c1983fc092b4de0312fc93506f0cf8622655fedecdf852e0b9a4f861d8913387007fd3aac780556ea33930efb39377d6469f5e943410c8a5300cff271a4
diff --git a/sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch b/sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch
new file mode 100644
index 000000000..c9656ac31
--- /dev/null
+++ b/sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch
@@ -0,0 +1,12 @@
+diff -Naurp wannier90-2.0.1.1.orig/tests/run_test.pl wannier90-2.0.1.1/tests/run_test.pl
+--- wannier90-2.0.1.1.orig/tests/run_test.pl	2016-02-08 11:51:52.000000000 +0000
++++ wannier90-2.0.1.1/tests/run_test.pl	2017-01-05 12:10:29.584850729 +0000
+@@ -2,7 +2,7 @@
+ #
+ use Cwd;
+ my $cwd = cwd();
+-$wanex="../wannier90.x" ;
++$wanex="../src/wannier90.x" ;
+ $wanex=$cwd."/".$wanex ;
+ print " Running test set of inputs\n";
+ @tests_found = <./test*>;
diff --git a/sci-libs/wannier90/metadata.xml b/sci-libs/wannier90/metadata.xml
index ae9640ffb..425b19557 100644
--- a/sci-libs/wannier90/metadata.xml
+++ b/sci-libs/wannier90/metadata.xml
@@ -5,4 +5,18 @@
 		<email>sci@gentoo.org</email>
 		<name>Gentoo Science Project</name>
 	</maintainer>
+	<maintainer type="person">
+		<email>Hloupy.Honza@centrum.cz</email>
+		<name>Honza Macháček</name>
+	</maintainer>
+	<longdescription lang="en">
+	Wannier90 is an electronic-structure software computing maximally-localized Wannier functions (MLWF).
+	It works on top of other electronic-structure software, such as Abinit, FLEUR, and PwSCF.
+	The project and associated repository on Launchpad only deal with patches over the official release,
+	as well as its packaging into the Debian and Ubuntu distributions.
+	</longdescription>
+	<upstream>
+	<doc>http://www.wannier.org/</doc>
+	<remote-id type="launchpad">wannier90</remote-id>
+	</upstream>
 </pkgmetadata>
diff --git a/sci-libs/wannier90/wannier90-2.0.0.ebuild b/sci-libs/wannier90/wannier90-2.0.0.ebuild
deleted file mode 100644
index 66fde81ec..000000000
--- a/sci-libs/wannier90/wannier90-2.0.0.ebuild
+++ /dev/null
@@ -1,64 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-inherit eutils fortran-2 multilib toolchain-funcs
-
-DESCRIPTION="Calculates maximally localized Wannier functions (MLWFs)"
-HOMEPAGE="http://www.wannier.org/"
-SRC_URI="http://wannier.org/code/${P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86 ~amd64-linux"
-IUSE="doc examples perl static-libs test"
-
-RDEPEND="
-	virtual/blas
-	virtual/lapack
-	perl? ( dev-lang/perl )"
-DEPEND="${RDEPEND}
-	virtual/pkgconfig
-	doc? ( virtual/latex-base
-		dev-texlive/texlive-latexextra
-	)"
-
-src_configure() {
-	cat <<- EOF >> "${S}"/make.sys
-		F90 = $(tc-getFC)
-		FCOPTS = ${FCFLAGS:- ${FFLAGS:- -O2}}
-		LDOPTS = ${LDFLAGS}
-		LIBS = $($(tc-getPKG_CONFIG) --libs blas lapack)
-	EOF
-}
-
-src_compile() {
-	emake -j1 wannier
-	emake -j1 lib
-	if use doc; then
-		VARTEXFONTS="${T}/fonts"
-		emake -j1 doc
-	fi
-}
-
-src_test() {
-	einfo "Compare the 'Standard' and 'Current' outputs of this test."
-	cd tests
-	emake test
-	cat wantest.log
-}
-
-src_install() {
-	dobin wannier90.x
-	use perl && dobin utility/kmesh.pl
-	use static-libs && dolib.a libwannier.a
-	doheader src/obj/*.mod
-	if use examples; then
-		insinto /usr/share/${PN}
-		doins -r examples
-	fi
-	use doc && dodoc doc/*.pdf
-	dodoc README README.install CHANGE.log
-}
diff --git a/sci-libs/wannier90/wannier90-2.0.1.1.ebuild b/sci-libs/wannier90/wannier90-2.0.1.1.ebuild
new file mode 100644
index 000000000..3958bfb45
--- /dev/null
+++ b/sci-libs/wannier90/wannier90-2.0.1.1.ebuild
@@ -0,0 +1,97 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+inherit autotools-utils eutils fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="Calculates maximally localized Wannier functions (MLWFs)"
+HOMEPAGE="http://www.wannier.org/"
+#SRC_URI="http://wannier.org/code/${P}.tar.gz"
+SRC_URI="https://launchpad.net/${PN}/2.0/${PV}/+download/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux"
+IUSE="doc mpi perl test"
+
+RDEPEND="
+	virtual/blas
+	virtual/lapack
+	perl? ( dev-lang/perl )"
+DEPEND="${RDEPEND}
+	virtual/pkgconfig
+	doc? ( virtual/latex-base
+		dev-texlive/texlive-latexextra
+		dev-tex/revtex
+	)"
+
+pkg_setup() {
+	# fortran-2.eclass does not handle mpi wrappers
+	if use mpi; then
+		export FC="mpif90"
+		export F77="mpif77"
+		export CC="mpicc"
+		export CXX="mpic++"
+		export MPIFC="mpif90"
+		export MPICC="mpicc"
+	else
+		tc-export FC F77 CC CXX
+	fi
+
+	# Preprocesor macross can make some lines really long
+	append-fflags -ffree-line-length-none
+
+	fortran-2_pkg_setup
+}
+
+src_prepare() {
+	epatch "${FILESDIR}"/"$P"-runtest.patch
+}
+
+src_configure() {
+	export LINALG_INCLUDES="$($(tc-getPKG_CONFIG) --cflags blas lapack)"
+	export LINALG_LIBS="$($(tc-getPKG_CONFIG) --libs blas lapack)"
+	autotools-utils_src_configure
+}
+
+src_compile() {
+	autotools-utils_src_compile
+	pushd "${BUILD_DIR}"/utility > /dev/null || die
+	emake || die "emake in utility failed"
+	popd > /dev/null || die
+	if use doc; then
+		VARTEXFONTS="${T}/fonts"
+		pushd "${BUILD_DIR}"/doc/user_guide > /dev/null || die
+		emake || die 'emake in doc/user_guide failed'
+		cd "${BUILD_DIR}"/doc/tutorial
+		emake || die 'emake in doc/tutorial failed'
+		cd "${BUILD_DIR}"/utility/w90vdw/doc
+		emake || die 'emake in utility/w90vdw/doc failed'
+		cd "${BUILD_DIR}"/utility/w90pov/doc
+		emake || die 'emake in utility/w90pov/doc failed'
+		popd > /dev/null || die
+	fi
+}
+
+src_test() {
+	einfo "Compare the 'Standard' and 'Current' outputs of this test."
+#	cd tests
+#	emake test
+	autotools-utils_src_compile check
+	cat "${BUILD_DIR}"/tests/wantest.log
+}
+
+src_install() {
+	autotools-utils_src_install
+	dobin "${BUILD_DIR}"/utility/w90pov/src/w90pov.x
+	dobin "${BUILD_DIR}"/utility/PL_assessment/w90_pl_assess.x
+	use perl && dobin "$S"/utility/w90_kmesh.pl
+	if use doc; then
+		dodoc "${BUILD_DIR}"/doc/tutorial/tutorial.pdf
+		dodoc "${BUILD_DIR}"/doc/user_guide/user_guide.pdf
+		dodoc "${BUILD_DIR}"/utility/w90vdw/doc/w90vdw.pdf
+		dodoc "${BUILD_DIR}"/utility/w90pov/doc/w90pov.pdf
+	fi
+}