diff options
22 files changed, 319 insertions, 491 deletions
diff --git a/sci-libs/bigdft-abi/ChangeLog b/sci-libs/bigdft-abi/ChangeLog new file mode 100644 index 000000000..4c4800877 --- /dev/null +++ b/sci-libs/bigdft-abi/ChangeLog @@ -0,0 +1,12 @@ +# ChangeLog for sci-libs/bigdft-abi +# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 +# $Header: $ + +*bigdft-abi-1.0.4 (17 Jun 2013) + + 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> + +bigdft-abi-1.0.4.ebuild, +files/bigdft-abi-1.0.4-tests.tar.bz2: + sci-libs/bigdft-abi-1.0.4 added. Replaces sci-libs/bigdft as a library of + sci-physics/abinit. Based on former sci-libs/bigdft ebuilds, usage of + LIBDIR/finclude abandoned in favour of /usr/include, as used upstream. + diff --git a/sci-libs/bigdft-abi/Manifest b/sci-libs/bigdft-abi/Manifest new file mode 100644 index 000000000..bd17fc562 --- /dev/null +++ b/sci-libs/bigdft-abi/Manifest @@ -0,0 +1,3 @@ +AUX bigdft-abi-1.0.4-tests.tar.bz2 402968 SHA256 11144208456b001f63b75cadce0e9b685054ef8bbc39a76cb08af61d5c86c4fb SHA512 3594d11a8d5834916f44bf6f049630ac9d092df6a7a3171701ef65e5ab56e9d039c2bb4603698cb4935a95189c65d7bf77f44b50617ea8c971a844a2757b3202 WHIRLPOOL 492b92805a4eecb5bb204dbf76acf9a40c790b39708a914e38628a2f4dadc3377eed79f8d986231c006bc8c5be0167af60c36f72212005156e8fe3a3c619281c +DIST bigdft-abi-1.0.4.tar.gz 8982260 SHA256 345cf49da92275710252d50b4ac8364f2f3c33e8f28d84d7b13ccf6fd0c69310 SHA512 556001d1ffd08be70b97f07a8a150d5d033a4611957180a7a25b41963754e0e3d2bb2a4e9d5b6beb8ff6fb1eb6f4ae9b51633cfe3d7f5a8ed20a85be21031c35 WHIRLPOOL b7c58732b538306f2b9b89b1310d9212cc1bb038fded782e6707e54679013ebc8376d54b5bd1bd51464dc7878fa05102fcba8f70a5d38b4571720c8d57ee3af1 +EBUILD bigdft-abi-1.0.4.ebuild 4232 SHA256 006484b64a83d7971efc05670b77d26114eed87f0d062c39e9b9bf01a4a005ce SHA512 bc34310bf3b4b3999574be8f67db51072a53b2a14fbf340edb72d046989f088b3c12b65f98a781fb5791263ce4c947786ee250dcbe4c162dcd194711321db4b5 WHIRLPOOL 28a1b685e427500acda0e210c9d2e72bbcd24bfe2be1b09112a1aab829d1efe9a896e28b45b42ec7db29c4908bc7cb3b73c83d0ad77accf9269ee9774e310537 diff --git a/sci-libs/bigdft-abi/bigdft-abi-1.0.4.ebuild b/sci-libs/bigdft-abi/bigdft-abi-1.0.4.ebuild new file mode 100644 index 000000000..c285d6326 --- /dev/null +++ b/sci-libs/bigdft-abi/bigdft-abi-1.0.4.ebuild @@ -0,0 +1,166 @@ +# Copyright 1999-2013 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=5 + +PYTHON_COMPAT=( python2_5 python2_6 python2_7 ) + +inherit autotools-utils eutils flag-o-matic fortran-2 python-any-r1 toolchain-funcs + + +DESCRIPTION="A DFT electronic structure code using a wavelet basis set" +HOMEPAGE="http://www.abinit.org/downloads/plug-in-sources" +SRC_URI="http://forge.abinit.org/fallbacks/${P}.tar.gz" + +LICENSE="GPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux" +IUSE="cuda doc etsf_io mpi netcdf openmp opencl test" + +RDEPEND=" + >=sci-libs/libxc-2.0.1[fortran] + virtual/blas + virtual/fortran + virtual/lapack + dev-libs/libyaml + mpi? ( virtual/mpi ) + cuda? ( dev-util/nvidia-cuda-sdk ) + opencl? ( virtual/opencl ) + etsf_io? ( >=sci-libs/etsf_io-1.0.3-r2 ) + netcdf? ( || ( + sci-libs/netcdf[fortran] + sci-libs/netcdf-fortran + ) + )" +DEPEND="${RDEPEND} + virtual/pkgconfig + >=sys-devel/autoconf-2.59 + doc? ( virtual/latex-base ) + ${PYTHON_DEPS} + dev-python/pyyaml[libyaml] + app-arch/tar + app-arch/gzip" + +DOCS=( README INSTALL ChangeLog AUTHORS NEWS ) + +FORTRAN_STANDARD=90 + +pkg_setup() { + # fortran-2.eclass does not handle mpi wrappers + if use mpi; then + export FC="mpif90" + export F77="mpif77" + export CC="mpicc" + else + tc-export FC F77 CC + fi + + # This should be correct. + # It is gcc-centric because toolchain-funcs.eclass is gcc-centric. + # Should a bug be filed against toolchain-funcs.eclass? + # if use openmp; then + # tc-has-openmp || \ + # die "Please select an openmp capable compiler like gcc[openmp]" + # fi + # + # Luckily Abinit is a fortran package. + # fortran-2.eclass has its own test for OpenMP support, + # more general than toolchain-funcs.eclass + # The test itself proceeds inside fortran-2_pkg_setup + if use openmp; then FORTRAN_NEED_OPENMP=1; fi + + fortran-2_pkg_setup + python-any-r1_pkg_setup +} + +src_prepare() { +# epatch \ +# "${FILESDIR}"/"${P}"-nolib_mods.patch +# + tar -xjf "${FILESDIR}"/"${P}"-tests.tar.bz2 -C "${S}"/tests/DFT/ + eautoreconf +} + +src_configure() { + local openmp="" + if use openmp; then + # based on _fortran-has-openmp() of fortran-2.eclass + local fcode=ebuild-openmp-flags.f + local _fc=$(tc-getFC) + + cat <<- EOF > "${fcode}" + call omp_get_num_threads + end + EOF + + for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do + ${_fc} ${openmp} "${fcode}" -o "${fcode}.x" && break + done + + rm -f "${fcode}.*" + fi + local modules="${EPREFIX}/usr/include" +# local Imodules="-I${modules}" + local Imodules="" + local netcdff_libs="-lnetcdff" + filter-flags '-m*' '-O*' "-pipe" + local nvcflags="${CFLAGS}" + _filter-var nvcflags '-m*' '-O*' "-pipe" "-W*" + local myeconfargs=( + $(use_enable mpi) + --enable-optimised-convolution + --enable-pseudo + --enable-libbigdft + --enable-binaries + --disable-minima-hopping + --disable-internal-libyaml + --enable-internal-libabinit + --with-moduledir="${modules}" + --with-ext-linalg="$($(tc-getPKG_CONFIG) --libs-only-l lapack) \ + $($(tc-getPKG_CONFIG) --libs-only-l blas)" + --with-ext-linalg-path="$($(tc-getPKG_CONFIG) --libs-only-L lapack) \ + $($(tc-getPKG_CONFIG) --libs-only-L blas)" + --with-libxc="yes" + --disable-internal-libxc + $(use_enable cuda cuda-gpu) + $(use_with cuda cuda-path /opt/cuda) + $(use_with cuda nvcc-flags "${nvcflags}") + $(use_enable opencl) + $(use_with etsf_io etsf-io) + "$(use etsf_io && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")" + PKG_CONFIG="$(tc-getPKG_CONFIG)" + FCFLAGS="${FCFLAGS} ${openmp} ${Imodules}" + LD="$(tc-getLD)" + CPP="$(tc-getCPP)" + ) + autotools-utils_src_configure +} + +src_compile() { + #autotools-utils_src_compile() expanded + _check_build_dir + pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null + emake -j1 + sed -i -e's%\$(top_builddir)/[^ ]*/lib\([^ /$-]*\)\.a%-l\1%g' bigdft.pc + popd > /dev/null + + #autotools-utils_src_compile + use doc && autotools-utils_src_compile doc +} + +src_test() { + if use test; then + #autotools-utils_src_test() expanded + _check_build_dir + pushd "${BUILD_DIR}" > /dev/null || die + # Run default src_test as defined in ebuild.sh + cd tests + emake -j1 check + popd > /dev/null + fi +} + +src_install() { + autotools-utils_src_install +} diff --git a/sci-libs/bigdft-abi/files/bigdft-abi-1.0.4-tests.tar.bz2 b/sci-libs/bigdft-abi/files/bigdft-abi-1.0.4-tests.tar.bz2 Binary files differnew file mode 100644 index 000000000..40f7ca5ac --- /dev/null +++ b/sci-libs/bigdft-abi/files/bigdft-abi-1.0.4-tests.tar.bz2 diff --git a/sci-libs/etsf_io/ChangeLog b/sci-libs/etsf_io/ChangeLog index 19ac5b64a..d47e36293 100644 --- a/sci-libs/etsf_io/ChangeLog +++ b/sci-libs/etsf_io/ChangeLog @@ -1,7 +1,14 @@ # ChangeLog for sci-libs/etsf_io -# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*etsf_io-1.0.3-r2 (17 Jun 2013) + + 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> + -etsf_io-1.0.3-r1.ebuild, +etsf_io-1.0.3-r2.ebuild: + Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used + upstream. + *etsf_io-1.0.3-r1 (19 Jun 2012) 19 Jun 2012; Honza Macháček <Hloupy.Honza@centrum.cz> diff --git a/sci-libs/etsf_io/etsf_io-1.0.3-r1.ebuild b/sci-libs/etsf_io/etsf_io-1.0.3-r2.ebuild index a3c62340d..a3c62340d 100644 --- a/sci-libs/etsf_io/etsf_io-1.0.3-r1.ebuild +++ b/sci-libs/etsf_io/etsf_io-1.0.3-r2.ebuild diff --git a/sci-libs/fox/ChangeLog b/sci-libs/fox/ChangeLog index 1d50ca61b..c2a4d2fc6 100644 --- a/sci-libs/fox/ChangeLog +++ b/sci-libs/fox/ChangeLog @@ -1,7 +1,15 @@ # ChangeLog for sci-libs/fox -# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*fox-4.1.2-r2 (17 Jun 2013) + + 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -fox-4.1.2-r1.ebuild, + +fox-4.1.2-r2.ebuild, -files/4.0.4-install-customizations.patch, + +files/4.1.2-r2-install-customizations.patch: + Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used by most + other packages. + 22 Jun 2012; Alexey Shvetsov <alexxy@gentoo.org> fox-4.1.2-r1.ebuild: [sci-libs/fox] make it prefix aware diff --git a/sci-libs/fox/files/4.0.4-install-customizations.patch b/sci-libs/fox/files/4.1.2-r2-install-customizations.patch index 0ea77314c..0ea77314c 100644 --- a/sci-libs/fox/files/4.0.4-install-customizations.patch +++ b/sci-libs/fox/files/4.1.2-r2-install-customizations.patch diff --git a/sci-libs/fox/fox-4.1.2-r1.ebuild b/sci-libs/fox/fox-4.1.2-r2.ebuild index 20856c8da..c856fcb2c 100644 --- a/sci-libs/fox/fox-4.1.2-r1.ebuild +++ b/sci-libs/fox/fox-4.1.2-r2.ebuild @@ -1,8 +1,8 @@ -# Copyright 1999-2012 Gentoo Foundation +# Copyright 1999-2013 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ -EAPI=4 +EAPI=5 inherit eutils @@ -30,7 +30,7 @@ S="${WORKDIR}/${MY_P}" FORTRAN_STANDARD=90 src_prepare() { - epatch "${FILESDIR}"/4.0.4-install-customizations.patch + epatch "${FILESDIR}"/4.1.2-r2-install-customizations.patch } src_configure() { @@ -50,13 +50,13 @@ src_compile() { } src_test() { - emake -j1 check || die "make check failed" + emake -j1 check || ewarn "make check failed" einfo "Please look at the last few RESULT lines for a summary." } src_install() { sed -i -e's%^comp_prefix=.*$%comp_prefix=${EPREFIX}/usr%' \ - -e's%comp_prefix/finclude%comp_prefix/lib/finclude%' \ + -e's%comp_prefix/finclude%comp_prefix/include%' \ -e's%\$libdir/lib\([^ ]\+\)\.a\>%-l\1%g' \ -e's%\(echo\( -I"$moddir"\)\?\) \$LIBS%\1 -L"$libdir" $LIBS%' \ FoX-config diff --git a/sci-libs/libxc/ChangeLog b/sci-libs/libxc/ChangeLog index 291d4ae5f..4bf38b928 100644 --- a/sci-libs/libxc/ChangeLog +++ b/sci-libs/libxc/ChangeLog @@ -1,7 +1,16 @@ # ChangeLog for sci-libs/libxc -# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*libxc-2.0.1 (17 Jun 2013) +*libxc-1.2.0-r1 (17 Jun 2013) + + 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> + -libxc-1.1.0-r1.ebuild, -libxc-1.2.0.ebuild, +libxc-1.2.0-r1.ebuild, + +libxc-2.0.1.ebuild, libxc-9999.ebuild: + Version bumped to 2.0.1. Usage of LIBDIR/finclude abandoned in favour of + /usr/include, as used upstream. Old files cleaned up. + 22 Jun 2012; Alexey Shvetsov <alexxy@gentoo.org> libxc-1.1.0-r1.ebuild, libxc-1.2.0.ebuild: [sci-libs/libxc] add ~amd64-linux diff --git a/sci-libs/libxc/libxc-1.1.0-r1.ebuild b/sci-libs/libxc/libxc-1.2.0-r1.ebuild index 0d9fc78f4..7f4ab188d 100644 --- a/sci-libs/libxc/libxc-1.1.0-r1.ebuild +++ b/sci-libs/libxc/libxc-1.2.0-r1.ebuild @@ -1,8 +1,8 @@ -# Copyright 1999-2012 Gentoo Foundation +# Copyright 1999-2013 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ -EAPI=4 +EAPI=5 inherit autotools-utils fortran-2 multilib @@ -15,7 +15,7 @@ SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz" LICENSE="LGPL-3" SLOT="0" KEYWORDS="~amd64 ~x86 ~amd64-linux" -IUSE="fortran static-libs" +IUSE="fortran static-libs -test" S="${WORKDIR}"/${MY_P} @@ -37,17 +37,19 @@ src_configure() { ## Upstream recommends not running the test suite because it requires ## human expert interpretation to determine whether output is an error or ## expected under certain circumstances. -# src_test() { :; } +# The autotools src_test function modified not to die. Runs emake check in build directory. +src_test() { + debug-print-function ${FUNCNAME} "$@" + + _check_build_dir + pushd "${BUILD_DIR}" > /dev/null || die + ewarn "This will fail if any test fails, no matter how dealt with in the ebuild." + make check || ewarn "Make check failed. See above for details." + einfo "emake check done" + popd > /dev/null || die +} src_install() { autotools-utils_src_install - if use fortran; then - # argument for this: --with-moduledir from etsf_io/bigdft - insinto /usr/$(get_libdir)/finclude - pushd "${AUTOTOOLS_BUILD_DIR}"/src >/dev/null - doins *.mod || die - rm -f "${D}"/usr/include/*.mod || die - popd >/dev/null - fi } diff --git a/sci-libs/libxc/libxc-1.2.0.ebuild b/sci-libs/libxc/libxc-2.0.1.ebuild index 0d9fc78f4..47b17a3da 100644 --- a/sci-libs/libxc/libxc-1.2.0.ebuild +++ b/sci-libs/libxc/libxc-2.0.1.ebuild @@ -1,8 +1,8 @@ -# Copyright 1999-2012 Gentoo Foundation +# Copyright 1999-2013 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: $ -EAPI=4 +EAPI=5 inherit autotools-utils fortran-2 multilib @@ -15,7 +15,7 @@ SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz" LICENSE="LGPL-3" SLOT="0" KEYWORDS="~amd64 ~x86 ~amd64-linux" -IUSE="fortran static-libs" +IUSE="fortran static-libs -test" S="${WORKDIR}"/${MY_P} @@ -36,18 +36,19 @@ src_configure() { ## Upstream recommends not running the test suite because it requires ## human expert interpretation to determine whether output is an error or -## expected under certain circumstances. -# src_test() { :; } +## expected under certain circumstances. Nevertheless, experts might want the option. +# The autotools src_test function modified not to die. Runs emake check in build directory. +src_test() { + debug-print-function ${FUNCNAME} "$@" + + _check_build_dir + pushd "${BUILD_DIR}" > /dev/null || die + make check || ewarn "Make check failed. See above for details." + einfo "emake check done" + popd > /dev/null || die +} src_install() { autotools-utils_src_install - if use fortran; then - # argument for this: --with-moduledir from etsf_io/bigdft - insinto /usr/$(get_libdir)/finclude - pushd "${AUTOTOOLS_BUILD_DIR}"/src >/dev/null - doins *.mod || die - rm -f "${D}"/usr/include/*.mod || die - popd >/dev/null - fi } diff --git a/sci-libs/wannier90/ChangeLog b/sci-libs/wannier90/ChangeLog index dfe5c7a0c..bb0da8817 100644 --- a/sci-libs/wannier90/ChangeLog +++ b/sci-libs/wannier90/ChangeLog @@ -2,6 +2,13 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*wannier90-1.2-r1 (17 Jun 2013) + + 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> + -wannier90-1.2.ebuild, +wannier90-1.2-r1.ebuild: + Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used by most + packages. + 22 Feb 2013; Justin Lecher <jlec@gentoo.org> wannier90-1.2.ebuild, metadata.xml: Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; diff --git a/sci-libs/wannier90/wannier90-1.2.ebuild b/sci-libs/wannier90/wannier90-1.2-r1.ebuild index 252792245..252792245 100644 --- a/sci-libs/wannier90/wannier90-1.2.ebuild +++ b/sci-libs/wannier90/wannier90-1.2-r1.ebuild diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog index 72028dd6b..a4f623b87 100644 --- a/sci-physics/abinit/ChangeLog +++ b/sci-physics/abinit/ChangeLog @@ -2,6 +2,15 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*abinit-7.2.2 (17 Jun 2013) + + 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -abinit-7.0.4.ebuild, + -abinit-7.0.5.ebuild, +abinit-7.2.2.ebuild, -files/6.0.3-fftw.patch, + -files/6.12.1-libabinit_options.patch, -files/6.12.3-gui-makefiles.tbz: + Version bumped to 7.2.2. Switched from sci-libs/bigdft to + sci-libs/bigdft-abi. Usage of LIBDIR/finclude abandoned in favour of + /usr/include, as used upstream. Old files cleaned up. + 03 Mar 2013; Justin Lecher <jlec@gentoo.org> -abinit-6.12.3-r2.ebuild: Drop old diff --git a/sci-physics/abinit/abinit-7.0.4.ebuild b/sci-physics/abinit/abinit-7.0.4.ebuild deleted file mode 100644 index 3bfaa809f..000000000 --- a/sci-physics/abinit/abinit-7.0.4.ebuild +++ /dev/null @@ -1,356 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI=4 - -inherit autotools-utils eutils flag-o-matic fortran-2 multilib toolchain-funcs - -DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory" -HOMEPAGE="http://www.abinit.org/" -SRC_URI="http://ftp.abinit.org/${P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="cuda cuda-double -debug +etsf_io +fftw +fftw-threads +fox gsl gui +hdf5 libabinit mpi +netcdf openmp python -test +threads -vdwxc" - -RDEPEND="~sci-libs/bigdft-1.7_pre12 - =sci-libs/libxc-1*[fortran] - sci-physics/atompaw[libxc] - etsf_io? ( sci-libs/etsf_io ) - fox? ( >=sci-libs/fox-4.1.2-r1[sax] ) - netcdf? ( - || ( - sci-libs/netcdf[fortran] - sci-libs/netcdf-fortran - ) - hdf5? ( - sci-libs/netcdf[hdf5] - ) - ) - hdf5? ( sci-libs/hdf5[fortran] ) - sci-libs/wannier90 - virtual/blas - virtual/lapack - gsl? ( sci-libs/gsl ) - fftw? ( - sci-libs/fftw:3.0 - fftw-threads? ( sci-libs/fftw:3.0[threads] ) - ) - mpi? ( virtual/mpi ) - python? ( dev-python/numpy ) - cuda? ( dev-util/nvidia-cuda-sdk )" -DEPEND="${RDEPEND} - virtual/pkgconfig - gui? ( >=virtual/jdk-1.6.0 - app-arch/sharutils - sys-apps/gawk ) - dev-perl/Text-Markdown" - -S=${WORKDIR}/${P%[a-z]} - -lat1loc="" - -DOCS=( AUTHORS ChangeLog COPYING INSTALL KNOWN_PROBLEMS NEWS PACKAGING - README README.ChangeLog README.GPU README.xlf RELNOTES THANKS ) - -FORTRAN_STANDARD=90 - -pkg_setup() { - # Doesn't compile with gcc-4.0, only >=4.1 - if [[ $(tc-getFC) == *gfortran ]]; then - if [[ $(gcc-major-version) -eq 4 ]] \ - && [[ $(gcc-minor-version) -lt 1 ]]; then - die "Requires gcc-4.1 or newer" - fi - fi - - # 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 - - # Preprocesor macross can make some lines really long - append-fflags -ffree-line-length-none - - fortran-2_pkg_setup - 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 - ewarn "fftw-threads set but fftw not used, ignored" - fi - if use cuda-double && ! use cuda; then - ewarn "cuda-double set but cuda not used, ignored" - fi - if use gui; then - lat1loc="$(locale |awk '/LC_CTYPE="(.*)"/{sub("LC_CTYPE=\"",""); sub("\" *$", ""); print}')" - if locale charmap |grep -i "\<iso885915\?\>"; then - einfo "Good, locale compatible with the GUI build" - else - ewarn "The locale ${lat1loc} incompatible with the GUI build" - if latloc=`locale -a| grep -i "\<iso885915\?\>"`; then - if echo "${latloc}" |grep -q "^fr"; then - lat1loc="$(echo "${latloc}" | grep -im1 "^fr")" - else - lat1loc="$(echo "${latloc}" | grep -im1 "iso88591")" - fi - einfo "Will use ${lat1loc} to build the GUI" - else - ewarn "No ISO-8859-1 nor ISO-8859-15 locale available, the GUI build may crash" - fi - fi - fi -} - -src_unpack() { - default_src_unpack - if use gui; then - pushd "${S}" > /dev/null - tar -xjf "${FILESDIR}"/6.12.3-gui-makefiles.tbz - popd > /dev/null - fi - -} - -src_prepare() { - epatch \ - "${FILESDIR}"/6.2.2-change-default-directories.patch \ - "${FILESDIR}"/6.12.1-autoconf.patch \ - "${FILESDIR}"/6.12.1-xmalloc.patch \ - "${FILESDIR}"/7.0.4-test_dirs.patch - eautoreconf - sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure - - if use gui; then - pushd gui > /dev/null - eautoreconf - popd > /dev/null - fi -} - -src_configure() { - local openmp="" - use openmp && openmp="-fopenmp" - local libs="" - local modules="-I/usr/$(get_libdir)/finclude $(FoX-config --sax --fcflags)" - local FoX_libs="${libs} $(FoX-config --sax --libs)" - local trio_flavor="" - use etsf_io && trio_flavor="${trio_flavor}+etsf_io" - use fox && trio_flavor="${trio_flavor}+fox" - use netcdf && trio_flavor="${trio_flavor}+netcdf" - test "no${trio_flavor}" = "no" && trio_flavor="none" - local netcdff_libs="-lnetcdff" - use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran" - local fft_flavor="fftw3" - local fft_libs="" - # The fftw threads support is protected by black magick. - # Anybody removes it, dies. - # New USE flag "fftw-threads" was added to control usage - # of the threaded fftw variant. Since fftw-3.3 has expanded - # the paralel options by MPI and OpenMP support, analogical - # USE flags should be added to select them in future; - # unusable with previous FFTW versions, they are postponed - # for now. - if use fftw-threads; then - fft_flavor="fftw3-threads" - if has_version '>=sci-libs/fftw-3.3'; then - # pkg-config files for fftw-3.3 are broken - # All the parallel stuff is separated - # from the main body of common routines, - # and -lfftw3 must be always included alongside. - # Until version 3.3 this used to be masked by - # .la files. - # Bug 384645 - fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)" - else - fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)" - fi - else - fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)" - fi - local gpu_flavor="none" - if use cuda; then - gpu_flavor="cuda-single" - if use cuda-double; then - gpu_flavor="cuda-double" - fi - fi - - local myeconfargs=( - --enable-clib - --enable-exports - $(use_enable gui) - $(use_enable debug debug enhanced) - $(use_enable mpi) - $(use_enable mpi mpi-io) - $(use_enable openmp) - $(use_enable vdwxc) - $(use_enable cuda gpu) - "$(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=$($(tc-getPKG_CONFIG) --cflags gsl)")" - "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")" - --with-linalg-flavor="atlas" - --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" - --with-trio-flavor="${trio_flavor}" - "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" - "$(use netcdf && echo "--with-netcdf-libs=$($(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=${modules}")" - "$(use etsf_io && echo "--with-etsf-io-libs=${libs} -letsf_io -letsf_io_utils -letsf_io_low_level")" - --with-dft-flavor="libxc+bigdft+atompaw+wannier90" - --with-libxc-incs="${modules}" - --with-libxc-libs="${libs} -lxc" - --with-bigdft-incs="${modules}" - --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 $($(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=${fft_libs}")" - --with-timer-flavor="abinit" - LD="$(tc-getLD)" - FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${openmp} ${modules} -I/usr/include" - ) - - MARKDOWN=Markdown.pl autotools-utils_src_configure - - if use gui; then - # autotools-utils_src_configure() part expanded - _check_build_dir - pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null - mkdir -p gui - cd gui - ECONF_SOURCE="${S}"/gui econf UUDECODE="uudecode" - popd > /dev/null - fi -} - -src_compile() { - autotools-utils_src_compile - - # Apparently libabinit.a is not built by default - # Used by BigDFT. Should probably be built separately, - # as a package of its own: BigDFT used by Abinit. - # Does libabinit.a depend on BigDFT, if used? - # Can Abinit use external libabinit.a? - use libabinit && autotools-utils_src_compile libabinit.a - - if use gui; then - #autotools-utils_src_compile() expanded - # _check_build_dir has already been called - pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null - # now what the function cannot be called to do - cd gui - LC_CTYPE="${lat1loc}" emake || die "Making GUI failed" - popd > /dev/null - fi - - sed -i -e's/libatlas/lapack/' "${AUTOTOOLS_BUILD_DIR}"/config.pc -} - -src_test() { - einfo "The tests take quite a while, easily several hours" - # autotools-utils_src_test() expanded - _check_build_dir - pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null - # again something the autotools-utils function cannot be called to do - # now quite a lot of work actually - cd tests - emake tests_acc || ewarn "Accuracy tests failed" - emake tests_paw || ewarn "PAW tests failed" - emake tests_gw || ewarn "GW tests failed" - emake tests_gw_paw || ewarn "GW-PAW tests failed" - emake tests_bs || ewarn "BSE tests failed" - emake tests_tddft || ewarn "TDDFT tests failed" - emake tests_eph || ewarn "Elphon tests failed" - - local REPORT - for REPORT in $(find . -name report); do - REPORT=${REPORT#*/} - elog "Parameters and unusual results for ${REPORT%%/*} tests" - echo "Parameters and unusual results for ${REPORT%%/*} tests" >>tests_summary.txt - while read line; do - elog "${line}" - echo "${line}" >>tests_summary.txt - done \ - < <(grep -v -e succeeded -e passed ${REPORT}) - done - - local testdir - find . -name "tmp-test*" -print | \ - while read testdir; do - if [ -e summary_of_tests.tar ]; then - tar rvf summary_of_tests.tar ${testdir} - else tar cvf summary_of_tests.tar ${testdir} - fi - done - popd > /dev/null - - elog "The full test results will be installed as summary_of_tests.tar.bz2." - elog "Also a concise report tests_summary.txt is installed." -} - -src_install() { - #autotools-utils_src_install() expanded - _check_build_dir - pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null - emake DESTDIR="${D}" install || die "make install failed" - - use libabinit && dolib libabinit.a - - if use gui; then - pushd gui > /dev/null - emake DESTDIR="${D}" install || die "The GUI install failed" - popd > /dev/null - fi - - if use test; then - for dc in tests_summary.txt summary_of_tests.tar; do - test -e tests/"${dc}" && dodoc tests/"${dc}" || ewarn "Copying tests results failed" - done - fi - - popd > /dev/null - - # XXX: support installing them from builddir as well!!! - if [[ ${DOCS} ]]; then - dodoc "${DOCS[@]}" || die "dodoc failed" - else - local f - # same list as in PMS - for f in README* ChangeLog AUTHORS NEWS TODO CHANGES \ - THANKS BUGS FAQ CREDITS CHANGELOG; do - if [[ -s ${f} ]]; then - dodoc "${f}" || die "(default) dodoc ${f} failed" - fi - done - fi - if [[ ${HTML_DOCS} ]]; then - dohtml -r "${HTML_DOCS[@]}" || die "dohtml failed" - fi - - # Remove libtool files and unnecessary static libs - remove_libtool_files -} - -pkg_postinst() { - if use test; then - elog "The full test results will be installed as summary_tests.tar.bz2." - elog "Also a concise report tests_summary.txt is installed." - fi -} diff --git a/sci-physics/abinit/abinit-7.0.5.ebuild b/sci-physics/abinit/abinit-7.2.2.ebuild index 3bfaa809f..0a2b49b76 100644 --- a/sci-physics/abinit/abinit-7.0.5.ebuild +++ b/sci-physics/abinit/abinit-7.2.2.ebuild @@ -2,7 +2,7 @@ # Distributed under the terms of the GNU General Public License v2 # $Header: $ -EAPI=4 +EAPI=5 inherit autotools-utils eutils flag-o-matic fortran-2 multilib toolchain-funcs @@ -15,11 +15,11 @@ SLOT="0" KEYWORDS="~amd64 ~x86" IUSE="cuda cuda-double -debug +etsf_io +fftw +fftw-threads +fox gsl gui +hdf5 libabinit mpi +netcdf openmp python -test +threads -vdwxc" -RDEPEND="~sci-libs/bigdft-1.7_pre12 - =sci-libs/libxc-1*[fortran] - sci-physics/atompaw[libxc] - etsf_io? ( sci-libs/etsf_io ) - fox? ( >=sci-libs/fox-4.1.2-r1[sax] ) +RDEPEND="~sci-libs/bigdft-abi-1.0.4 + >=sci-libs/libxc-2.0.1[fortran] + >=sci-physics/atompaw-3.0.1.9-r1[libxc] + etsf_io? ( >=sci-libs/etsf_io-1.0.3-r2 ) + fox? ( >=sci-libs/fox-4.1.2-r2[sax] ) netcdf? ( || ( sci-libs/netcdf[fortran] @@ -30,7 +30,7 @@ RDEPEND="~sci-libs/bigdft-1.7_pre12 ) ) hdf5? ( sci-libs/hdf5[fortran] ) - sci-libs/wannier90 + >=sci-libs/wannier90-1.2-r1 virtual/blas virtual/lapack gsl? ( sci-libs/gsl ) @@ -79,10 +79,29 @@ pkg_setup() { # Preprocesor macross can make some lines really long append-fflags -ffree-line-length-none + # This should be correct. + # It is gcc-centric because toolchain-funcs.eclass is gcc-centric. + # Should a bug be filed against toolchain-funcs.eclass? + # if use openmp; then + # tc-has-openmp || \ + # die "Please select an openmp capable compiler like gcc[openmp]" + # fi + # + # This is completely wrong. + # If other compilers than Gnu Compiler Collection can be used by portage, + # their support of OpenMP should be properly tested. This code limits the test + # to gcc, and blindly supposes that other compilers do support OpenMP. + # if use openmp && [[ $(tc-getCC)$ == *gcc* ]] && ! tc-has-openmp; then + # die "Please select an openmp capable compiler like gcc[openmp]" + # fi + # + # Luckily Abinit is a fortran package. + # fortran-2.eclass has its own test for OpenMP support, + # more general than toolchain-funcs.eclass + # The test itself proceeds inside fortran-2_pkg_setup + if use openmp; then FORTRAN_NEED_OPENMP=1; fi + fortran-2_pkg_setup - 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 @@ -139,9 +158,24 @@ src_prepare() { src_configure() { local openmp="" - use openmp && openmp="-fopenmp" + if use openmp; then + # based on _fortran-has-openmp() of fortran-2.eclass + local fcode=ebuild-openmp-flags.f + local _fc=$(tc-getFC) + + cat <<- EOF > "${fcode}" + 1 call omp_get_num_threads + 2 end + EOF + + for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do + ${_fc} ${openmp} "${fcode}" -o "${fcode}.x" && break + done + + rm -f "${fcode}.*" + fi local libs="" - local modules="-I/usr/$(get_libdir)/finclude $(FoX-config --sax --fcflags)" + local modules="$(FoX-config --sax --fcflags)" local FoX_libs="${libs} $(FoX-config --sax --libs)" local trio_flavor="" use etsf_io && trio_flavor="${trio_flavor}+etsf_io" @@ -162,20 +196,11 @@ src_configure() { # for now. if use fftw-threads; then fft_flavor="fftw3-threads" - if has_version '>=sci-libs/fftw-3.3'; then - # pkg-config files for fftw-3.3 are broken - # All the parallel stuff is separated - # from the main body of common routines, - # and -lfftw3 must be always included alongside. - # Until version 3.3 this used to be masked by - # .la files. - # Bug 384645 - fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)" - else - fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)" - fi + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3f_threads)" else fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)" + fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3f)" fi local gpu_flavor="none" if use cuda; then @@ -345,7 +370,7 @@ src_install() { fi # Remove libtool files and unnecessary static libs - remove_libtool_files + prune_libtool_files } pkg_postinst() { diff --git a/sci-physics/abinit/files/6.0.3-fftw.patch b/sci-physics/abinit/files/6.0.3-fftw.patch deleted file mode 100644 index 6eca1e4ac..000000000 --- a/sci-physics/abinit/files/6.0.3-fftw.patch +++ /dev/null @@ -1,14 +0,0 @@ -diff -Naur tmp-old/src/53_ffts/ccfft.F90 tmp-new/src/53_ffts/ccfft.F90 ---- src/53_ffts/ccfft.F90 2009-03-11 05:12:18.000000000 +0000 -+++ src/53_ffts/ccfft.F90 2009-04-14 12:13:31.000000000 +0000 -@@ -96,8 +96,8 @@ - integer,intent(out) :: inplace,normalized - type(MPI_type),intent(inout) :: mpi_enreg - !arrays -- real(dp),intent(inout) :: work1(2,n4*n5*n6*ndat) -- real(dp),intent(out) :: work2(2,n4*n5*n6*ndat) -+ real(dp),intent(inout) :: work1(2*n4,n5,n6,ndat) -+ real(dp),intent(out) :: work2(2*n4,n5,n6,ndat) - - !Local variables ------------------------------ - !scalars diff --git a/sci-physics/abinit/files/6.12.1-libabinit_options.patch b/sci-physics/abinit/files/6.12.1-libabinit_options.patch deleted file mode 100644 index ad28a8183..000000000 --- a/sci-physics/abinit/files/6.12.1-libabinit_options.patch +++ /dev/null @@ -1,57 +0,0 @@ -diff -Naur abinit-6.12.1_orig/Makefile.am abinit-6.12.1/Makefile.am ---- Makefile.am 2012-01-30 19:42:26.000000000 +0000 -+++ Makefile.am 2012-03-22 10:32:50.000000000 +0000 -@@ -1279,12 +1279,16 @@ - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/12_hide_mpi/lib12_hide_mpi.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/13_memory_mpi/lib13_memory_mpi.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/14_hidewrite/lib14_hidewrite.a -+if DO_BUILD_15_GPU_TOOLBOX - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/15_gpu_toolbox/lib15_gpu_toolbox.a -+endif - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/16_hideleave/lib16_hideleave.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/18_timing/lib18_timing.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/27_toolbox_oop/lib27_toolbox_oop.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/28_numeric_noabirule/lib28_numeric_noabirule.a -+if DO_BUILD_32_CONTRACT - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_contract/lib32_contract.a -+endif - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_util/lib32_util.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/42_geometry/lib42_geometry.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/42_nlstrain/lib42_nlstrain.a -@@ -1298,7 +1302,9 @@ - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/49_gw_toolbox_oop/lib49_gw_toolbox_oop.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/51_manage_mpi/lib51_manage_mpi.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a -+if DO_BUILD_52_MANAGE_CUDA - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_manage_cuda/lib52_manage_cuda.a -+endif - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_abiutil/lib53_abiutil.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_ffts/lib53_ffts.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_spacepar/lib53_spacepar.a -diff -Naur abinit-6.12.1_orig/Makefile.in abinit-6.12.1/Makefile.in ---- Makefile.in 2012-03-22 09:23:51.000000000 +0000 -+++ Makefile.in 2012-03-22 10:33:22.000000000 +0000 -@@ -2638,12 +2638,12 @@ - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/12_hide_mpi/lib12_hide_mpi.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/13_memory_mpi/lib13_memory_mpi.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/14_hidewrite/lib14_hidewrite.a -- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/15_gpu_toolbox/lib15_gpu_toolbox.a -+@DO_BUILD_15_GPU_TOOLBOX_TRUE@ cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/15_gpu_toolbox/lib15_gpu_toolbox.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/16_hideleave/lib16_hideleave.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/18_timing/lib18_timing.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/27_toolbox_oop/lib27_toolbox_oop.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/28_numeric_noabirule/lib28_numeric_noabirule.a -- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_contract/lib32_contract.a -+@DO_BUILD_32_CONTRACT_TRUE@ cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_contract/lib32_contract.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_util/lib32_util.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/42_geometry/lib42_geometry.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/42_nlstrain/lib42_nlstrain.a -@@ -2657,7 +2657,7 @@ - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/49_gw_toolbox_oop/lib49_gw_toolbox_oop.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/51_manage_mpi/lib51_manage_mpi.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a -- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_manage_cuda/lib52_manage_cuda.a -+@DO_BUILD_52_MANAGE_CUDA_TRUE@ cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_manage_cuda/lib52_manage_cuda.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_abiutil/lib53_abiutil.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_ffts/lib53_ffts.a - cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_spacepar/lib53_spacepar.a diff --git a/sci-physics/abinit/files/6.12.3-gui-makefiles.tbz b/sci-physics/abinit/files/6.12.3-gui-makefiles.tbz Binary files differdeleted file mode 100644 index d324544e9..000000000 --- a/sci-physics/abinit/files/6.12.3-gui-makefiles.tbz +++ /dev/null diff --git a/sci-physics/atompaw/ChangeLog b/sci-physics/atompaw/ChangeLog index 38dfd7881..54678f46e 100644 --- a/sci-physics/atompaw/ChangeLog +++ b/sci-physics/atompaw/ChangeLog @@ -2,6 +2,13 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*atompaw-3.0.1.9-r1 (17 Jun 2013) + + 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> + -atompaw-3.0.1.9.ebuild, +atompaw-3.0.1.9-r1.ebuild: + Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used + upstream. Old files cleaned up. + 22 Feb 2013; Justin Lecher <jlec@gentoo.org> atompaw-3.0.1.9.ebuild, metadata.xml: Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; diff --git a/sci-physics/atompaw/atompaw-3.0.1.9.ebuild b/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild index bbb78cafc..1408910e5 100644 --- a/sci-physics/atompaw/atompaw-3.0.1.9.ebuild +++ b/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild @@ -2,7 +2,7 @@ # Distributed under the terms of the GNU General Public License v2 # $Header: $ -EAPI=4 +EAPI=5 inherit autotools-utils eutils fortran-2 multilib toolchain-funcs @@ -17,12 +17,12 @@ SRC_URI=" LICENSE="GPL-2" SLOT="0" KEYWORDS="~amd64 ~x86" -IUSE="doc libxc" +IUSE="doc libxc test" RDEPEND=" virtual/blas virtual/lapack - libxc? ( sci-libs/libxc[fortran] )" + libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] )" DEPEND="${RDEPEND} virtual/pkgconfig" @@ -44,13 +44,12 @@ src_prepare() { } src_configure() { - local modules="-I/usr/$(get_libdir)/finclude" local myeconfargs=( $(use_enable libxc) --with-linalg-flavor=atlas --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)" - --with-libxc-incs="-I/usr/include ${modules}" - --with-libxc-libs="${libs} -lxc" + --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)" + --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)" FC="$(tc-getFC)" FCFLAGS="${FCFLAGS}" CC="$(tc-getCC)" LDFLAGS="${LDFLAGS}" ) |