commit: c83750b1c6bb6583fd9626b8adcd484b7c8952b7
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Fri Jan 6 10:58:12 2017 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Fri Jan 6 10:58:12 2017 +0000
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=c83750b1
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
.../files/wannier90-2.0.1.1-runtest.patch | 12 +++
sci-libs/wannier90/metadata.xml | 14 ++++
sci-libs/wannier90/wannier90-2.0.0.ebuild | 64 --------------
sci-libs/wannier90/wannier90-2.0.1.1.ebuild | 97 ++++++++++++++++++++++
4 files changed, 123 insertions(+), 64 deletions(-)
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 0000000..c9656ac
--- /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 ae9640f..425b195 100644
--- a/sci-libs/wannier90/metadata.xml
+++ b/sci-libs/wannier90/metadata.xml
@@ -5,4 +5,18 @@
<email>s...@gentoo.org</email>
<name>Gentoo Science Project</name>
</maintainer>
+ <maintainer type="person">
+ <email>hloupy.ho...@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 66fde81..0000000
--- 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 0000000..3958bfb
--- /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
+}
