diff options
-rw-r--r-- | sci-libs/wannier90/Manifest | 2 | ||||
-rw-r--r-- | sci-libs/wannier90/files/wannier90-2.0.1.1-runtest.patch | 12 | ||||
-rw-r--r-- | sci-libs/wannier90/metadata.xml | 14 | ||||
-rw-r--r-- | sci-libs/wannier90/wannier90-2.0.0.ebuild | 64 | ||||
-rw-r--r-- | sci-libs/wannier90/wannier90-2.0.1.1.ebuild | 97 |
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 +} |