diff options
author | Justin Lecher <jlec@gentoo.org> | 2013-02-22 08:42:46 +0100 |
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committer | Justin Lecher <jlec@gentoo.org> | 2013-02-22 08:42:46 +0100 |
commit | 4113e02e5f96d3fc789810d2e892dd1e75eb612e (patch) | |
tree | fb51792a35470f43306c610939379dde441acdad | |
parent | sci-biology/mira: current stable and development version bumps (diff) | |
download | sci-4113e02e5f96d3fc789810d2e892dd1e75eb612e.tar.gz sci-4113e02e5f96d3fc789810d2e892dd1e75eb612e.tar.bz2 sci-4113e02e5f96d3fc789810d2e892dd1e75eb612e.zip |
sci-physics/abinit: Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; correct dep for pkgconfig to virtual; fix openmp compatibility detection
Package-Manager: portage-2.2.0_alpha163
-rw-r--r-- | sci-physics/abinit/ChangeLog | 5 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-6.12.3-r2.ebuild | 22 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-7.0.4.ebuild | 27 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-7.0.5.ebuild | 27 | ||||
-rw-r--r-- | sci-physics/abinit/metadata.xml | 74 |
5 files changed, 81 insertions, 74 deletions
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog index c5fa554e7..aad695b64 100644 --- a/sci-physics/abinit/ChangeLog +++ b/sci-physics/abinit/ChangeLog @@ -2,6 +2,11 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ + 22 Feb 2013; Justin Lecher <jlec@gentoo.org> abinit-6.12.3-r2.ebuild, + abinit-7.0.4.ebuild, abinit-7.0.5.ebuild, metadata.xml: + Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; + correct dep for pkgconfig to virtual; fix openmp compatibility detection + *abinit-7.0.5 (20 Feb 2013) 20 Feb 2013; Honza Macháček <Hloupy.Honza@centrum.cz> +abinit-7.0.5.ebuild: diff --git a/sci-physics/abinit/abinit-6.12.3-r2.ebuild b/sci-physics/abinit/abinit-6.12.3-r2.ebuild index a5c883145..0eb2c6f72 100644 --- a/sci-physics/abinit/abinit-6.12.3-r2.ebuild +++ b/sci-physics/abinit/abinit-6.12.3-r2.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2012 Gentoo Foundation +# Copyright 1999-2013 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ @@ -42,7 +42,7 @@ RDEPEND="~sci-libs/bigdft-1.6_pre1 python? ( dev-python/numpy ) cuda? ( dev-util/nvidia-cuda-sdk )" DEPEND="${RDEPEND} - dev-util/pkgconfig + virtual/pkgconfig gui? ( >=virtual/jdk-1.6.0 app-arch/sharutils sys-apps/gawk ) @@ -150,12 +150,12 @@ src_configure() { # Until version 3.3 this used to be masked by # .la files. # Bug 384645 - fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)" else - fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)" fi else - fft_libs="${fft_libs} $(pkg-config --libs fftw3)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)" fi local gpu_flavor="none" if use cuda; then @@ -178,13 +178,13 @@ src_configure() { "$(use cuda && echo "--with-gpu-flavor=${gpu_flavor}")" "$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")" "$(use gsl && echo "--with-math-flavor=gsl")" - "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")" - "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")" + "$(use gsl && echo "--with-math-incs=$($(tc-getPKG_CONFIG) --cflags gsl)")" + "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")" --with-linalg-flavor="atlas" - --with-linalg-libs="$(pkg-config --libs lapack)" + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" --with-trio-flavor="${trio_flavor}" "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" - "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")" + "$(use netcdf && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")" "$(use fox && echo "--with-fox-incs=${modules}")" "$(use fox && echo "--with-fox-libs=${FoX_libs}")" "$(use etsf_io && echo "--with-etsf-io-incs=${modules}")" @@ -193,12 +193,12 @@ src_configure() { --with-libxc-incs="${modules}" --with-libxc-libs="${libs} -lxc" --with-bigdft-incs="${modules}" - --with-bigdft-libs="$(pkg-config --libs bigdft)" + --with-bigdft-libs="$($(tc-getPKG_CONFIG) --libs bigdft)" --with-atompaw-incs="${modules}" --with-atompaw-libs="${libs} -latompaw" --with-wannier90-bins="/usr/bin" --with-wannier90-incs="${modules}" - --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" + --with-wannier90-libs="${libs} -lwannier $($(tc-getPKG_CONFIG) --libs lapack)" "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")" "$(use fftw && echo "--with-fft-incs=-I/usr/include")" "$(use fftw && echo "--with-fft-libs=${fft_libs}")" diff --git a/sci-physics/abinit/abinit-7.0.4.ebuild b/sci-physics/abinit/abinit-7.0.4.ebuild index a3ab9aede..3bfaa809f 100644 --- a/sci-physics/abinit/abinit-7.0.4.ebuild +++ b/sci-physics/abinit/abinit-7.0.4.ebuild @@ -42,7 +42,7 @@ RDEPEND="~sci-libs/bigdft-1.7_pre12 python? ( dev-python/numpy ) cuda? ( dev-util/nvidia-cuda-sdk )" DEPEND="${RDEPEND} - dev-util/pkgconfig + virtual/pkgconfig gui? ( >=virtual/jdk-1.6.0 app-arch/sharutils sys-apps/gawk ) @@ -80,10 +80,9 @@ pkg_setup() { append-fflags -ffree-line-length-none fortran-2_pkg_setup - if use openmp; then - tc-has-openmp || \ - die "Please select an openmp capable compiler like gcc[openmp]" - fi + if use openmp && [[ $(tc-getCC)$ == *gcc* ]] && ! tc-has-openmp; then + die "Please select an openmp capable compiler like gcc[openmp]" + fi # Sort out some USE options if use fftw-threads && ! use fftw; then @@ -171,12 +170,12 @@ src_configure() { # Until version 3.3 this used to be masked by # .la files. # Bug 384645 - fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)" else - fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)" fi else - fft_libs="${fft_libs} $(pkg-config --libs fftw3)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)" fi local gpu_flavor="none" if use cuda; then @@ -199,13 +198,13 @@ src_configure() { "$(use cuda && echo "--with-gpu-flavor=${gpu_flavor}")" "$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")" "$(use gsl && echo "--with-math-flavor=gsl")" - "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")" - "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")" + "$(use gsl && echo "--with-math-incs=$($(tc-getPKG_CONFIG) --cflags gsl)")" + "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")" --with-linalg-flavor="atlas" - --with-linalg-libs="$(pkg-config --libs lapack)" + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" --with-trio-flavor="${trio_flavor}" "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" - "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")" + "$(use netcdf && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")" "$(use fox && echo "--with-fox-incs=${modules}")" "$(use fox && echo "--with-fox-libs=${FoX_libs}")" "$(use etsf_io && echo "--with-etsf-io-incs=${modules}")" @@ -214,12 +213,12 @@ src_configure() { --with-libxc-incs="${modules}" --with-libxc-libs="${libs} -lxc" --with-bigdft-incs="${modules}" - --with-bigdft-libs="$(pkg-config --libs bigdft)" + --with-bigdft-libs="$($(tc-getPKG_CONFIG) --libs bigdft)" --with-atompaw-incs="${modules}" --with-atompaw-libs="${libs} -latompaw" --with-wannier90-bins="/usr/bin" --with-wannier90-incs="${modules}" - --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" + --with-wannier90-libs="${libs} -lwannier $($(tc-getPKG_CONFIG) --libs lapack)" "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")" "$(use fftw && echo "--with-fft-incs=-I/usr/include")" "$(use fftw && echo "--with-fft-libs=${fft_libs}")" diff --git a/sci-physics/abinit/abinit-7.0.5.ebuild b/sci-physics/abinit/abinit-7.0.5.ebuild index a3ab9aede..3bfaa809f 100644 --- a/sci-physics/abinit/abinit-7.0.5.ebuild +++ b/sci-physics/abinit/abinit-7.0.5.ebuild @@ -42,7 +42,7 @@ RDEPEND="~sci-libs/bigdft-1.7_pre12 python? ( dev-python/numpy ) cuda? ( dev-util/nvidia-cuda-sdk )" DEPEND="${RDEPEND} - dev-util/pkgconfig + virtual/pkgconfig gui? ( >=virtual/jdk-1.6.0 app-arch/sharutils sys-apps/gawk ) @@ -80,10 +80,9 @@ pkg_setup() { append-fflags -ffree-line-length-none fortran-2_pkg_setup - if use openmp; then - tc-has-openmp || \ - die "Please select an openmp capable compiler like gcc[openmp]" - fi + if use openmp && [[ $(tc-getCC)$ == *gcc* ]] && ! tc-has-openmp; then + die "Please select an openmp capable compiler like gcc[openmp]" + fi # Sort out some USE options if use fftw-threads && ! use fftw; then @@ -171,12 +170,12 @@ src_configure() { # Until version 3.3 this used to be masked by # .la files. # Bug 384645 - fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)" else - fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)" fi else - fft_libs="${fft_libs} $(pkg-config --libs fftw3)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)" fi local gpu_flavor="none" if use cuda; then @@ -199,13 +198,13 @@ src_configure() { "$(use cuda && echo "--with-gpu-flavor=${gpu_flavor}")" "$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")" "$(use gsl && echo "--with-math-flavor=gsl")" - "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")" - "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")" + "$(use gsl && echo "--with-math-incs=$($(tc-getPKG_CONFIG) --cflags gsl)")" + "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")" --with-linalg-flavor="atlas" - --with-linalg-libs="$(pkg-config --libs lapack)" + --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" --with-trio-flavor="${trio_flavor}" "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" - "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")" + "$(use netcdf && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")" "$(use fox && echo "--with-fox-incs=${modules}")" "$(use fox && echo "--with-fox-libs=${FoX_libs}")" "$(use etsf_io && echo "--with-etsf-io-incs=${modules}")" @@ -214,12 +213,12 @@ src_configure() { --with-libxc-incs="${modules}" --with-libxc-libs="${libs} -lxc" --with-bigdft-incs="${modules}" - --with-bigdft-libs="$(pkg-config --libs bigdft)" + --with-bigdft-libs="$($(tc-getPKG_CONFIG) --libs bigdft)" --with-atompaw-incs="${modules}" --with-atompaw-libs="${libs} -latompaw" --with-wannier90-bins="/usr/bin" --with-wannier90-incs="${modules}" - --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" + --with-wannier90-libs="${libs} -lwannier $($(tc-getPKG_CONFIG) --libs lapack)" "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")" "$(use fftw && echo "--with-fft-incs=-I/usr/include")" "$(use fftw && echo "--with-fft-libs=${fft_libs}")" diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml index 14984145e..e8b3b1d6a 100644 --- a/sci-physics/abinit/metadata.xml +++ b/sci-physics/abinit/metadata.xml @@ -1,44 +1,48 @@ <?xml version="1.0" encoding="UTF-8"?> <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> - <herd>sci-physics</herd> - <longdescription lang="en"> -ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided. + <herd>sci-physics</herd> + <longdescription lang="en"> +ABINIT is a package whose main program allows one to find the total energy, +charge density and electronic structure of systems made of electrons and nuclei +(molecules and periodic solids) within Density Functional Theory (DFT), using +pseudopotentials and a planewave basis. ABINIT also includes options to optimize +the geometry according to the DFT forces and stresses, or to perform molecular +dynamics simulations using these forces, or to generate dynamical matrices, +Born effective charges, and dielectric tensors. Excited states can be computed +within the Time-Dependent Density Functional Theory (for molecules), or within +Many-Body Perturbation Theory (the GW approximation). In addition to the main +ABINIT code, different utility programs are provided. </longdescription> - <use> - <flag name="cuda"> - Enable support for nVidia CUDA + <use> + <flag name="cuda">Enable support for nVidia CUDA</flag> + </use> + <use> + <flag name="cuda-double"> + Enable support for double precision nVidia CUDA </flag> - </use> - <use> - <flag name="cuda-double"> - Enable support for double precision nVidia CUDA + </use> + <use> + <flag name="etsf_io">This USE needs documentation</flag> + </use> + <use> + <flag name="fftw-threads"> + Use the threaded version of <pkg>sci-libs/fftw</pkg> </flag> - </use> - <use> - <flag name="fftw-threads"> - Use the threaded version of sci-libs/fftw - </flag> - </use> - <use> - <flag name="fox"> - Enable support for FoX Fortran XML library - </flag> - </use> - <use> - <flag name="gui"> - Build the abinit GUI (requires java) - </flag> - </use> - <use> - <flag name="libabinit"> - Build the libabinit used by sci-libs/bigdft + </use> + <use> + <flag name="fox">Enable support for FoX Fortran XML library</flag> + </use> + <use> + <flag name="gui">Build the abinit GUI (requires java)</flag> + </use> + <use> + <flag name="libabinit"> + Build the libabinit used by <pkg>sci-libs/bigdft</pkg> (usage not tested yet, circular dependency not resolved) </flag> - </use> - <use> - <flag name="vdwxc"> - Activate van der Waals exchange-correlation - </flag> - </use> + </use> + <use> + <flag name="vdwxc">Activate van der Waals exchange-correlation</flag> + </use> </pkgmetadata> |