From d770ec44f3dfc7bff0ba35233c14d97f29a0ff1d Mon Sep 17 00:00:00 2001 From: Honza Macháček Date: Thu, 19 Sep 2013 13:10:27 +0200 Subject: sci-libs/bigdft removed. Superseded by sci-physics/bigdft and sci-libs/bigdft-abi --- sci-libs/bigdft/ChangeLog | 139 -------------- sci-libs/bigdft/Manifest | 2 - sci-libs/bigdft/bigdft-1.6.0-r2.ebuild | 122 ------------ sci-libs/bigdft/bigdft-1.7_pre12.ebuild | 147 --------------- .../bigdft/files/bigdft-1.6-tuto.1-GPUlibs-1.patch | 26 --- .../files/bigdft-1.6-tuto.1-bigdft.pc-1.patch | 207 --------------------- .../bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch | 67 ------- .../bigdft-1.6-tuto.1-libxc_dir_include.patch | 50 ----- .../files/bigdft-1.6.0-libxc_dir_include.patch | 50 ----- .../bigdft/files/bigdft-1.7-dev.12-GPUlink.patch | 12 -- .../bigdft-1.7-dev.12-libxc_dir_include.patch | 50 ----- .../files/bigdft-1.7-dev.12-nolib_mods.patch | 25 --- .../bigdft/files/bigdft-1.7-dev.12-tests.tar.bz2 | Bin 22103 -> 0 bytes sci-libs/bigdft/metadata.xml | 10 - 14 files changed, 907 deletions(-) delete mode 100644 sci-libs/bigdft/ChangeLog delete mode 100644 sci-libs/bigdft/Manifest delete mode 100644 sci-libs/bigdft/bigdft-1.6.0-r2.ebuild delete mode 100644 sci-libs/bigdft/bigdft-1.7_pre12.ebuild delete mode 100644 sci-libs/bigdft/files/bigdft-1.6-tuto.1-GPUlibs-1.patch delete mode 100644 sci-libs/bigdft/files/bigdft-1.6-tuto.1-bigdft.pc-1.patch delete mode 100644 sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch delete mode 100644 sci-libs/bigdft/files/bigdft-1.6-tuto.1-libxc_dir_include.patch delete mode 100644 sci-libs/bigdft/files/bigdft-1.6.0-libxc_dir_include.patch delete mode 100644 sci-libs/bigdft/files/bigdft-1.7-dev.12-GPUlink.patch delete mode 100644 sci-libs/bigdft/files/bigdft-1.7-dev.12-libxc_dir_include.patch delete mode 100644 sci-libs/bigdft/files/bigdft-1.7-dev.12-nolib_mods.patch delete mode 100644 sci-libs/bigdft/files/bigdft-1.7-dev.12-tests.tar.bz2 delete mode 100644 sci-libs/bigdft/metadata.xml diff --git a/sci-libs/bigdft/ChangeLog b/sci-libs/bigdft/ChangeLog deleted file mode 100644 index 812748003..000000000 --- a/sci-libs/bigdft/ChangeLog +++ /dev/null @@ -1,139 +0,0 @@ -# ChangeLog for sci-libs/bigdft -# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 -# $Header: $ - - 03 Mar 2013; Justin Lecher bigdft-1.7_pre12.ebuild: - Fix issue 52 - - 03 Mar 2013; Justin Lecher bigdft-1.7_pre12.ebuild: - Fix issue 52 - - 22 Feb 2013; Justin Lecher -bigdft-1.6_pre1-r4.ebuild, - bigdft-1.6.0-r2.ebuild, bigdft-1.7_pre12.ebuild, metadata.xml: - Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; - drop old - - 20 Feb 2013; Honza Macháček - bigdft-1.7_pre12.ebuild: - The setup of python for the compilation of the GPU support in - bigdft-1.7_pre12 improved. - - 20 Feb 2013; Honza Macháček - bigdft-1.7_pre12.ebuild, +files/bigdft-1.7-dev.12-GPUlink.patch: - Compilation of GPU support in bigdft-1.7_pre12 improved. Yet to be tested. - -*bigdft-1.7_pre12 (17 Jan 2013) - - 17 Jan 2013; Honza Macháček - +bigdft-1.7_pre12.ebuild, +files/bigdft-1.7-dev.12-libxc_dir_include.patch, - +files/bigdft-1.7-dev.12-nolib_mods.patch, - +files/bigdft-1.7-dev.12-tests.tar.bz2: - New version 1.7-dev.12 (1.7_pre12) from the Abinit site added; used by - sci-physics/abinit-7.0.4 but apparently segfaults it. - -*bigdft-1.6_pre1-r4 (01 Sep 2012) - - 01 Sep 2012; Honza Macháček - -bigdft-1.6_pre1-r3.ebuild, +bigdft-1.6_pre1-r4.ebuild, - -files/bigdft-1.6-tuto.1-GPUlibs.patch, - +files/bigdft-1.6-tuto.1-GPUlibs-1.patch, - -files/bigdft-1.6-tuto.1-bigdft.pc.patch, - +files/bigdft-1.6-tuto.1-bigdft.pc-1.patch: - Patches to install GPU support corrected not to break linking against the - compiled libraries - - 10 Jul 2012; Honza Macháček - files/bigdft-1.6-tuto.1-GPUlibs.patch: - bigdft-1.6-tuto.1-GPUlibs.patch updated not to forget the pkg-config file - -*bigdft-1.6_pre1-r3 (04 Jul 2012) - - 04 Jul 2012; Honza Macháček - -bigdft-1.6_pre1-r2.ebuild, +bigdft-1.6_pre1-r3.ebuild, - +files/bigdft-1.6-tuto.1-GPUlibs.patch, - +files/bigdft-1.6-tuto.1-gcc-4.6.patch: - bigdft-1.6_pre1 from -r2 to -r3: patched to install necessary libraries for - GPU support and to compile with gcc-4.6 - - 22 Jun 2012; Alexey Shvetsov bigdft-1.6.0-r2.ebuild, - bigdft-1.6_pre1-r2.ebuild: - [sci-libs/bigdft] add ~amd64-linux - -*bigdft-1.6.0-r2 (19 Jun 2012) -*bigdft-1.6_pre1-r2 (19 Jun 2012) - - 19 Jun 2012; Honza Macháček - -bigdft-1.6_pre1-r1.ebuild, +bigdft-1.6_pre1-r2.ebuild, - -bigdft-1.6.0-r1.ebuild, +bigdft-1.6.0-r2.ebuild: - Reflect the split of the fortran interface out of sci-libs/netcdf - - 22 May 2012; Justin Lecher bigdft-1.6_pre1-r1.ebuild, - bigdft-1.6.0-r1.ebuild: - Add missing eutils.eclass, bump to EAPI=4, remove unnecessary bits - -*bigdft-1.6.0-r1 (15 May 2012) -*bigdft-1.6_pre1-r1 (15 May 2012) - - 15 May 2012; Honza Macháček - -bigdft-1.6_pre1.ebuild, +bigdft-1.6_pre1-r1.ebuild, -bigdft-1.6.0.ebuild, - +bigdft-1.6.0-r1.ebuild: - pkg-config file corrected - - 30 Mar 2012; Honza Macháček - -bigdft-1.2.0.2.ebuild, -files/bigdft-1.2.0.2-0001.patch, - -files/bigdft-1.2.0.2-0002.patch, -files/bigdft-1.2.0.2-0003.patch, - -files/bigdft-1.2.0.2-0004.patch, -files/bigdft-1.2.0.2-testH.patch, - -bigdft-1.2.0.5.ebuild, -files/bigdft-1.2.0.5-0001.patch, - -bigdft-1.6_pre0.ebuild, -files/bigdft-1.6-tuto-bigdft.pc.patch, - -files/bigdft-1.6-tuto-libxc_dir_include.patch: - Clean-up. - -*bigdft-1.6_pre1 (22 Mar 2012) -*bigdft-1.6_pre0 (22 Mar 2012) - - 22 Mar 2012; Honza Macháček - +bigdft-1.2.0.2.ebuild, +bigdft-1.2.0.5.ebuild, +bigdft-1.6_pre0.ebuild, - +bigdft-1.6_pre1.ebuild, bigdft-1.6.0.ebuild, - +files/bigdft-1.6.0-libxc_dir_include.patch, - +files/bigdft-1.6-tuto.1-bigdft.pc.patch, - +files/bigdft-1.6-tuto.1-libxc_dir_include.patch, - +files/bigdft-1.6-tuto-bigdft.pc.patch, - +files/bigdft-1.6-tuto-libxc_dir_include.patch: - Old versions used by old versions of abinit ressurected. May be removed - forever if nobody complains about the latest abinit. 1.6.0 corrected, - 1.6_pre0 and 1.6_pre1 added; 1.6_pre1 is used by sci-physics/abinit-6.12.1. - -*bigdft-1.6.0 (18 Feb 2012) - - 18 Feb 2012; Justin Lecher -bigdft-1.2.0.2.ebuild, - -bigdft-1.2.0.5.ebuild, +bigdft-1.6.0.ebuild, metadata.xml: - Move to EAPI=4 and autotools-util.eclass - -*bigdft-1.2.0.5 (14 Dec 2011) - - 14 Dec 2011; Honza Macháček - bigdft-1.2.0.2.ebuild, +bigdft-1.2.0.5.ebuild, - +files/bigdft-1.2.0.5-0001.patch: - Version bump to 1.2.0.5 for sci-physics/abinit-6.10.3; still not much - progress towards the current version (1.5.2 and 1.6-tuto) - - 11 Jul 2011; Honza Macháček - bigdft-1.2.0.2.ebuild: - The MPI support, broken by fortran-2.eclass usage, made work again. - - 24 Jun 2011; Justin Lecher bigdft-1.2.0.2.ebuild: - Streamlined fortran-2 eclass usage - - 21 Jun 2011; Justin Lecher bigdft-1.2.0.2.ebuild, - +metadata.xml: - Added fortran-2.eclass support - -*bigdft-1.2.0.2 (17 Jan 2011) - - 17 Jan 2011; Honza Macháček - +bigdft-1.2.0.2.ebuild, +files/bigdft-1.2.0.2-0001.patch, - +files/bigdft-1.2.0.2-0002.patch, +files/bigdft-1.2.0.2-0003.patch, - +files/bigdft-1.2.0.2-0004.patch, +files/bigdft-1.2.0.2-testH.patch: - A bigDFT ebuild for sci-physics/abinit; not the latest version but the abinit - compatible one. - diff --git a/sci-libs/bigdft/Manifest b/sci-libs/bigdft/Manifest deleted file mode 100644 index a828ad66e..000000000 --- a/sci-libs/bigdft/Manifest +++ /dev/null @@ -1,2 +0,0 @@ -DIST bigdft-1.6.0.tar.gz 8876759 SHA256 2d3212ef5f1ebc10fe7c627397ac6282ad41e1433ec6e66905f9d39a302913c0 SHA512 facbb78d126885dd04fed6451aa9cd1f5c755055e146cda1d2d4e90e3310fc3066b661635477db96d5b143ffaaa3ebb01107681437fd9965f3c764cf1b034361 WHIRLPOOL 97bc6c28296a92b09139e3a65266daa583011620fad5aed208e0e48627ab1d9c0ef9993d6c4c3cce5696d5c707bcdfb4b8ca7e64379909b3cf073206e32f9572 -DIST bigdft-1.7-dev.12.tar.gz 8904633 SHA256 2f899f287dd508dc616fb798cc9d01d1c79951dc68c277fb0ce19ea0ad690332 SHA512 35efe93edd7e6fb08abe919c59913c173f23e17a50104ad92e510dba5ba35ba8117012249d620896affc8acc05c9d85c6c61a411bc903750db6593456e9e8142 WHIRLPOOL 94a8d6d25fe82f3f1b89d15b4e23293d018bfb66c96fd1061a09e6352fb6811e79a15161bd3ca92e5f544253c8fa9f919d41fe069635ac07f33e21cc70878719 diff --git a/sci-libs/bigdft/bigdft-1.6.0-r2.ebuild b/sci-libs/bigdft/bigdft-1.6.0-r2.ebuild deleted file mode 100644 index e43d7e45b..000000000 --- a/sci-libs/bigdft/bigdft-1.6.0-r2.ebuild +++ /dev/null @@ -1,122 +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 toolchain-funcs - -REAL_P="${P/_pre0/-tuto}" - -DESCRIPTION="A DFT electronic structure code using a wavelet basis set" -HOMEPAGE="http://inac.cea.fr/L_Sim/BigDFT/" -SRC_URI="http://inac.cea.fr/L_Sim/BigDFT/${REAL_P}.tar.gz" - -LICENSE="GPL-3" -SLOT="0" -KEYWORDS="~amd64 ~x86 ~amd64-linux" -IUSE="cuda doc etsf_io mpi netcdf opencl test" - -RDEPEND=" - =sci-libs/libxc-1*[fortran] - virtual/blas - virtual/fortran - virtual/lapack - mpi? ( virtual/mpi ) - cuda? ( dev-util/nvidia-cuda-sdk ) - opencl? ( - || ( - dev-util/nvidia-cuda-sdk - dev-util/amdstream - ) - ) - etsf_io? ( sci-libs/etsf_io ) - netcdf? ( || ( - sci-libs/netcdf[fortran] - sci-libs/netcdf-fortran - ) - )" -DEPEND="${RDEPEND} - virtual/pkgconfig - >=sys-devel/autoconf-2.59 - doc? ( virtual/latex-base )" - -S="${WORKDIR}/${REAL_P}" - -DOCS=( README INSTALL ChangeLog AUTHORS NEWS ) - -FORTRAN_STANDARD=90 - -pkg_setup() { - # fortran-2.eclass does not handle mpi wrappers - if use mpi; then - export FC="mpif90" - export F77="mpif77" - export CC="mpicc" - else - tc-export FC F77 CC - fi - - fortran-2_pkg_setup -} - -src_prepare() { - epatch "${FILESDIR}"/"${REAL_P}"-libxc_dir_include.patch - eautoreconf -} - -src_configure() { - local modules="${EPREFIX}/usr/$(get_libdir)/finclude" - local netcdff_libs="-lnetcdff" - filter-flags '-m*' '-O*' "-pipe" - local nvcflags="${CFLAGS}" -# _filter-var nvcflags '-m*' '-O*' "-pipe" - local myeconfargs=( - $(use_enable mpi) - --enable-optimised-convolution - --enable-pseudo - --enable-libbigdft - --enable-binaries - --disable-minima-hopping - --with-moduledir="${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)" - --disable-internal-libxc - --with-libxc-path="/usr" - --with-libxc-include="${modules}" - $(use_enable cuda cuda-gpu) - $(use_with cuda cuda-path /opt/cuda) - $(use_with cuda nvcc-flags "${nvcflags}") - $(use_enable opencl) - $(use_with opencl ocl-path "${EPREFIX}/usr") - $(use_with etsf_io etsf-io) - $(use_with etsf_io etsf-io-path "${EPREFIX}/usr") - $(use_with etsf_io netcdf-path "$($(tc-getPKG_CONFIG) --libs-only-L netcdf)") - "$(use etsf_io && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")" - FCFLAGS+=" -I${modules}" - 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 - - use doc && autotools-utils_src_compile doc -} - -src_test() { - use test && autotools-utils_src_test -} - -src_install() { - autotools-utils_src_install HAVE_LIBXC=1 -} diff --git a/sci-libs/bigdft/bigdft-1.7_pre12.ebuild b/sci-libs/bigdft/bigdft-1.7_pre12.ebuild deleted file mode 100644 index 8ff693ea1..000000000 --- a/sci-libs/bigdft/bigdft-1.7_pre12.ebuild +++ /dev/null @@ -1,147 +0,0 @@ -# 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 - -REAL_P="${P/_pre/-dev.}" - -DESCRIPTION="A DFT electronic structure code using a wavelet basis set" -HOMEPAGE="http://inac.cea.fr/L_Sim/BigDFT/" -SRC_URI="http://forge.abinit.org/fallbacks/${REAL_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-1*[fortran] - virtual/blas - virtual/fortran - virtual/lapack - dev-libs/libyaml - mpi? ( virtual/mpi ) - cuda? ( dev-util/nvidia-cuda-sdk ) - opencl? ( - || ( - dev-util/nvidia-cuda-sdk - dev-util/amdstream - ) - ) - etsf_io? ( sci-libs/etsf_io ) - netcdf? ( || ( - sci-libs/netcdf[fortran] - sci-libs/netcdf-fortran - ) - )" -DEPEND="${RDEPEND} - virtual/pkgconfig - >=sys-devel/autoconf-2.59 - doc? ( virtual/latex-base ) - cuda? ( ${PYTHON_DEPS} ) - opencl? ( ${PYTHON_DEPS} ) - app-arch/tar - app-arch/gzip" - -S="${WORKDIR}/${REAL_P}" - -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 - - 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 - python-any-r1_pkg_setup -} - -src_prepare() { - epatch \ - "${FILESDIR}"/"${REAL_P}"-libxc_dir_include.patch \ - "${FILESDIR}"/"${REAL_P}"-GPUlink.patch \ - "${FILESDIR}"/"${REAL_P}"-nolib_mods.patch - tar -xjf "${FILESDIR}"/"${REAL_P}"-tests.tar.bz2 -C "${S}"/tests/DFT/postSCF/ - eautoreconf -} - -src_configure() { - local openmp="" - use openmp && openmp="-fopenmp" - local modules="${EPREFIX}/usr/$(get_libdir)/finclude" - local netcdff_libs="-lnetcdff" - filter-flags '-m*' '-O*' "-pipe" - local nvcflags="${CFLAGS}" - _filter-var nvcflags '-m*' '-O*' "-pipe" - 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)" - --enable-libxc - --disable-internal-libxc - --with-libxc-include="${modules}" - $(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) ${netcdff_libs}")" - FCFLAGS="${FCFLAGS} ${openmp} -I${modules}" - 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 HAVE_LIBXC=1 -} diff --git a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-GPUlibs-1.patch b/sci-libs/bigdft/files/bigdft-1.6-tuto.1-GPUlibs-1.patch deleted file mode 100644 index 386e39dc7..000000000 --- a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-GPUlibs-1.patch +++ /dev/null @@ -1,26 +0,0 @@ -diff -Naur orig/bigdft-1.6-tuto.1.orig/src/CUDA/Makefile.am patched/bigdft-1.6-tuto.1/src/CUDA/Makefile.am ---- bigdft-1.6-tuto.1.orig/src/CUDA/Makefile.am 2011-09-27 12:43:06.000000000 +0000 -+++ bigdft-1.6-tuto.1/src/CUDA/Makefile.am 2012-07-04 12:08:27.000000000 +0000 -@@ -43,7 +43,8 @@ - # Not used anymore, to be removed - #INC_CUDA = -I@LIB_CUTIL_PATH@ - EXTRA_PROGRAMS = conv_check --noinst_LIBRARIES = libGPU.a libbasef.a -+lib_LIBRARIES = libGPU.a -+noinst_LIBRARIES = libbasef.a - - libGPU_a_SOURCES = $(SOURCES_CU_CONV1) $(SOURCES_SHARED) $(SOURCES_CONV) - AM_CPPFLAGS = $(INC_CUDA) -I. -I$(top_builddir) -I@CUDA_PATH@/include/ @LIBSGPU_INCLUDE@ -DCUBLAS_USE_THUNKING -diff -Naur orig/bigdft-1.6-tuto.1.orig/src/OpenCL/Makefile.am patched/bigdft-1.6-tuto.1/src/OpenCL/Makefile.am ---- bigdft-1.6-tuto.1.orig/src/OpenCL/Makefile.am 2011-09-27 12:43:06.000000000 +0000 -+++ bigdft-1.6-tuto.1/src/OpenCL/Makefile.am 2012-07-04 12:09:02.000000000 +0000 -@@ -26,7 +26,8 @@ - - EXTRA_PROGRAMS = conv_check conv_check_fft bench_conv bench_conv_quick bench_zgemm stream_check - --noinst_LIBRARIES = libbasef.a libbasec.a libOCL.a libStream.a -+lib_LIBRARIES = libOCL.a -+noinst_LIBRARIES = libbasef.a libbasec.a libStream.a - - libbasef_a_SOURCES = $(mpi_source) - libbasef_a_LIBADD = ../modules/defs.o ../modules/base.o \ diff --git a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-bigdft.pc-1.patch b/sci-libs/bigdft/files/bigdft-1.6-tuto.1-bigdft.pc-1.patch deleted file mode 100644 index 7c3380a9b..000000000 --- a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-bigdft.pc-1.patch +++ /dev/null @@ -1,207 +0,0 @@ -diff -Naur bigdft-1.6-tuto_orig/Makefile.am bigdft-1.6-tuto/Makefile.am ---- Makefile.am 2011-10-18 07:39:52.000000000 +0000 -+++ Makefile.am 2012-03-21 10:08:44.000000000 +0000 -@@ -4,7 +4,10 @@ - - ACLOCAL_AMFLAGS = -I config/m4 - --DISTCLEANFILES = config.inc -+DISTCLEANFILES = config.inc bigdft.pc -+ -+pkgconfigdir = $(libdir)/pkgconfig -+pkgconfig_DATA = bigdft.pc - - if BUILD_LIBABINIT - libABINIT_dir = libABINIT/src -diff -Naur bigdft-1.6-tuto_orig/Makefile.in bigdft-1.6-tuto/Makefile.in ---- Makefile.in 2012-03-21 10:03:28.000000000 +0000 -+++ Makefile.in 2012-03-21 10:20:48.000000000 +0000 -@@ -33,7 +33,7 @@ - POST_UNINSTALL = : - subdir = . - DIST_COMMON = README $(am__configure_deps) $(srcdir)/Makefile.am \ -- $(srcdir)/Makefile.in $(srcdir)/config.h.in \ -+ $(srcdir)/Makefile.in $(srcdir)/bigdft.pc.in $(srcdir)/config.h.in \ - $(top_srcdir)/config/Doxyfile.in $(top_srcdir)/configure \ - AUTHORS COPYING ChangeLog INSTALL NEWS config/depcomp \ - config/install-sh config/missing -@@ -48,7 +48,7 @@ - configure.lineno config.status.lineno - mkinstalldirs = $(install_sh) -d - CONFIG_HEADER = config.h --CONFIG_CLEAN_FILES = config/Doxyfile -+CONFIG_CLEAN_FILES = bigdft.pc config/Doxyfile - CONFIG_CLEAN_VPATH_FILES = - SOURCES = - DIST_SOURCES = -@@ -59,6 +59,35 @@ - install-pdf-recursive install-ps-recursive install-recursive \ - installcheck-recursive installdirs-recursive pdf-recursive \ - ps-recursive uninstall-recursive -+am__vpath_adj_setup = srcdirstrip=`echo "$(srcdir)" | sed 's|.|.|g'`; -+am__vpath_adj = case $$p in \ -+ $(srcdir)/*) f=`echo "$$p" | sed "s|^$$srcdirstrip/||"`;; \ -+ *) f=$$p;; \ -+ esac; -+am__strip_dir = f=`echo $$p | sed -e 's|^.*/||'`; -+am__install_max = 40 -+am__nobase_strip_setup = \ -+ srcdirstrip=`echo "$(srcdir)" | sed 's/[].[^$$\\*|]/\\\\&/g'` -+am__nobase_strip = \ -+ for p in $$list; do echo "$$p"; done | sed -e "s|$$srcdirstrip/||" -+am__nobase_list = $(am__nobase_strip_setup); \ -+ for p in $$list; do echo "$$p $$p"; done | \ -+ sed "s| $$srcdirstrip/| |;"' / .*\//!s/ .*/ ./; s,\( .*\)/[^/]*$$,\1,' | \ -+ $(AWK) 'BEGIN { files["."] = "" } { files[$$2] = files[$$2] " " $$1; \ -+ if (++n[$$2] == $(am__install_max)) \ -+ { print $$2, files[$$2]; n[$$2] = 0; files[$$2] = "" } } \ -+ END { for (dir in files) print dir, files[dir] }' -+am__base_list = \ -+ sed '$$!N;$$!N;$$!N;$$!N;$$!N;$$!N;$$!N;s/\n/ /g' | \ -+ sed '$$!N;$$!N;$$!N;$$!N;s/\n/ /g' -+am__uninstall_files_from_dir = { \ -+ test -z "$$files" \ -+ || { test ! -d "$$dir" && test ! -f "$$dir" && test ! -r "$$dir"; } \ -+ || { echo " ( cd '$$dir' && rm -f" $$files ")"; \ -+ $(am__cd) "$$dir" && rm -f $$files; }; \ -+ } -+am__installdirs = "$(DESTDIR)$(pkgconfigdir)" -+DATA = $(pkgconfig_DATA) - RECURSIVE_CLEAN_TARGETS = mostlyclean-recursive clean-recursive \ - distclean-recursive maintainer-clean-recursive - AM_RECURSIVE_TARGETS = $(RECURSIVE_TARGETS:-recursive=) \ -@@ -232,7 +261,9 @@ - config/m4 - - ACLOCAL_AMFLAGS = -I config/m4 --DISTCLEANFILES = config.inc -+DISTCLEANFILES = config.inc bigdft.pc -+pkgconfigdir = $(libdir)/pkgconfig -+pkgconfig_DATA = bigdft.pc - @BUILD_LIBABINIT_FALSE@libABINIT_dir = - @BUILD_LIBABINIT_TRUE@libABINIT_dir = libABINIT/src - @BUILD_LIBXC_FALSE@libXC_dir = -@@ -307,8 +338,28 @@ - - distclean-hdr: - -rm -f config.h stamp-h1 -+bigdft.pc: $(top_builddir)/config.status $(srcdir)/bigdft.pc.in -+ cd $(top_builddir) && $(SHELL) ./config.status $@ - config/Doxyfile: $(top_builddir)/config.status $(top_srcdir)/config/Doxyfile.in - cd $(top_builddir) && $(SHELL) ./config.status $@ -+install-pkgconfigDATA: $(pkgconfig_DATA) -+ @$(NORMAL_INSTALL) -+ test -z "$(pkgconfigdir)" || $(MKDIR_P) "$(DESTDIR)$(pkgconfigdir)" -+ @list='$(pkgconfig_DATA)'; test -n "$(pkgconfigdir)" || list=; \ -+ for p in $$list; do \ -+ if test -f "$$p"; then d=; else d="$(srcdir)/"; fi; \ -+ echo "$$d$$p"; \ -+ done | $(am__base_list) | \ -+ while read files; do \ -+ echo " $(INSTALL_DATA) $$files '$(DESTDIR)$(pkgconfigdir)'"; \ -+ $(INSTALL_DATA) $$files "$(DESTDIR)$(pkgconfigdir)" || exit $$?; \ -+ done -+ -+uninstall-pkgconfigDATA: -+ @$(NORMAL_UNINSTALL) -+ @list='$(pkgconfig_DATA)'; test -n "$(pkgconfigdir)" || list=; \ -+ files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \ -+ dir='$(DESTDIR)$(pkgconfigdir)'; $(am__uninstall_files_from_dir) - - # This directory's subdirectories are mostly independent; you can cd - # into them and run `make' without going through this Makefile. -@@ -622,9 +673,12 @@ - exit 1; } >&2 - check-am: all-am - check: check-recursive --all-am: Makefile config.h -+all-am: Makefile $(DATA) config.h - installdirs: installdirs-recursive - installdirs-am: -+ for dir in "$(DESTDIR)$(pkgconfigdir)"; do \ -+ test -z "$$dir" || $(MKDIR_P) "$$dir"; \ -+ done - install: install-recursive - install-exec: install-exec-recursive - install-data: install-data-recursive -@@ -672,7 +726,7 @@ - - info-am: - --install-data-am: -+install-data-am: install-pkgconfigDATA - - install-dvi: install-dvi-recursive - -@@ -718,7 +772,7 @@ - - ps-am: - --uninstall-am: -+uninstall-am: uninstall-pkgconfigDATA - - .MAKE: $(RECURSIVE_CLEAN_TARGETS) $(RECURSIVE_TARGETS) all \ - ctags-recursive install-am install-strip tags-recursive -@@ -733,10 +787,10 @@ - install-data-am install-dvi install-dvi-am install-exec \ - install-exec-am install-html install-html-am install-info \ - install-info-am install-man install-pdf install-pdf-am \ -- install-ps install-ps-am install-strip installcheck \ -+ install-pkgconfigDATA install-ps install-ps-am install-strip installcheck \ - installcheck-am installdirs installdirs-am maintainer-clean \ - maintainer-clean-generic mostlyclean mostlyclean-generic pdf \ -- pdf-am ps ps-am tags tags-recursive uninstall uninstall-am -+ pdf-am ps ps-am tags tags-recursive uninstall uninstall-am uninstall-pkgconfigDATA - - configure - -diff -Naur bigdft-1.6-tuto_orig/bigdft.pc.in bigdft-1.6-tuto/bigdft.pc.in ---- bigdft.pc.in 1970-01-01 00:00:00.000000000 +0000 -+++ bigdft.pc.in 2012-02-01 09:43:59.000000000 +0000 -@@ -0,0 +1,15 @@ -+@USE_CUDA_GPU_FALSE@libs_cuda= -+@USE_CUDA_GPU_TRUE@libs_cuda=$(top_builddir)/src/CUDA/libGPU.a -+@USE_OCL_FALSE@libs_ocl= -+@USE_OCL_TRUE@libs_ocl=$(top_builddir)/src/OpenCL/libOCL.a -lstdc++ -+prefix=@prefix@ -+exec_prefix=@exec_prefix@ -+libdir=@libdir@ -+includedir=@includedir@ -+ -+Name: libbigdft -+Description: Library for DFT calculation over wavelets. -+Requires: -+Version: @VERSION@ -+Libs: -L${libdir} -lbigdft -lpoissonsolver ${libs_cuda} ${libs_ocl} @LIBS@ @FCLIBS@ -+Cflags: -I${includedir} -diff -Naur bigdft-1.6-tuto_orig/configure bigdft-1.6-tuto/configure ---- configure 2012-03-21 10:03:26.000000000 +0000 -+++ configure 2012-03-21 11:04:52.000000000 +0000 -@@ -8512,7 +8512,7 @@ - docdir="${docdir}" - - --ac_config_files="$ac_config_files Makefile libABINIT/src/Makefile config/Doxyfile src/Makefile src/modules/Makefile src/modules/configure.inc src/profiling/Makefile src/PSolver/Makefile src/convolutions/Makefile src/CUDA/Makefile src/OpenCL/Makefile src/dgemmsy/Makefile src/convolutions-c/Makefile src/art/Makefile src/tools/Makefile src/tools/bader/Makefile utils/Makefile utils/PSPfiles/Makefile pseudo/Makefile pseudo/src/Makefile pseudo/tests/Makefile doc/Makefile tests/Makefile tests/fft/Makefile tests/PSolver/Makefile tests/H2-freq/Makefile tests/MINHOP/Makefile tests/NEB/Makefile tests/NEB/input tests/NEB/NEB_include.sh tests/XabsCheb/Makefile tests/SPLSAD/Makefile tests/TDDFT/Makefile tests/OP2P/Makefile tests/DFT/Makefile tests/OpenCL/Makefile tests/CUDA/Makefile tests/ETSF_IO/Makefile tests/tutorials/Makefile tests/xc/Makefile" -+ac_config_files="$ac_config_files Makefile bigdft.pc libABINIT/src/Makefile config/Doxyfile src/Makefile src/modules/Makefile src/modules/configure.inc src/profiling/Makefile src/PSolver/Makefile src/convolutions/Makefile src/CUDA/Makefile src/OpenCL/Makefile src/dgemmsy/Makefile src/convolutions-c/Makefile src/art/Makefile src/tools/Makefile src/tools/bader/Makefile utils/Makefile utils/PSPfiles/Makefile pseudo/Makefile pseudo/src/Makefile pseudo/tests/Makefile doc/Makefile tests/Makefile tests/fft/Makefile tests/PSolver/Makefile tests/H2-freq/Makefile tests/MINHOP/Makefile tests/NEB/Makefile tests/NEB/input tests/NEB/NEB_include.sh tests/XabsCheb/Makefile tests/SPLSAD/Makefile tests/TDDFT/Makefile tests/OP2P/Makefile tests/DFT/Makefile tests/OpenCL/Makefile tests/CUDA/Makefile tests/ETSF_IO/Makefile tests/tutorials/Makefile tests/xc/Makefile" - - - # Call libXC ./configure script recursively. -@@ -9349,6 +9349,7 @@ - "config.h") CONFIG_HEADERS="$CONFIG_HEADERS config.h" ;; - "depfiles") CONFIG_COMMANDS="$CONFIG_COMMANDS depfiles" ;; - "Makefile") CONFIG_FILES="$CONFIG_FILES Makefile" ;; -+ "bigdft.pc") CONFIG_FILES="$CONFIG_FILES bigdft.pc" ;; - "libABINIT/src/Makefile") CONFIG_FILES="$CONFIG_FILES libABINIT/src/Makefile" ;; - "config/Doxyfile") CONFIG_FILES="$CONFIG_FILES config/Doxyfile" ;; - "src/Makefile") CONFIG_FILES="$CONFIG_FILES src/Makefile" ;; -diff -Naur bigdft-1.6-tuto_orig/configure.ac bigdft-1.6-tuto/configure.ac ---- configure.ac 2012-03-21 10:03:02.000000000 +0000 -+++ configure.ac 2012-03-21 10:48:53.000000000 +0000 -@@ -715,6 +715,7 @@ - dnl Give the name of file.in to transform to file - AC_CONFIG_FILES([ - Makefile -+bigdft.pc - libABINIT/src/Makefile - config/Doxyfile - src/Makefile diff --git a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch b/sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch deleted file mode 100644 index e89da2546..000000000 --- a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-gcc-4.6.patch +++ /dev/null @@ -1,67 +0,0 @@ -diff -Naurp bigdft-1.6-tuto.1.orig/src/art/art_lanczos.f90 bigdft-1.6-tuto.1/src/art/art_lanczos.f90 ---- bigdft-1.6-tuto.1.orig/src/art/art_lanczos.f90 2011-10-17 08:46:50.000000000 +0000 -+++ bigdft-1.6-tuto.1/src/art/art_lanczos.f90 2012-06-22 13:03:49.000000000 +0000 -@@ -80,11 +80,30 @@ subroutine lanczos( maxvec, new_projecti - integer :: i_min - real(kind=8) :: e_min - !_______________________ -+ -+ interface -+ !> ART center -+ !! @author -+ !! Written by EM 2010, see ~/AUTHORS -+ !! It places the center of mass of a 3D vector at (0,0,0). -+ subroutine center( vector, vecsize ) -+ -+ use defs, only : natoms, constr -+ use bigdft_forces, only : in_system -+ implicit none -+ -+ !Arguments -+ integer, intent(in) :: vecsize -+ real(kind=8), dimension(vecsize), intent(inout), target :: vector -+ -+ end subroutine center -+ end interface -+ - newpos = 0.0d0 - diag = 0.0d0 - offdiag = 0.0d0 - lanc = 0.0d0 -- -+ - boxl = box * scala - ! We now take the current position as the - ! reference point and will make a displacement -diff -Naurp bigdft-1.6-tuto.1.orig/src/art/calcfo_sw.f90 bigdft-1.6-tuto.1/src/art/calcfo_sw.f90 ---- bigdft-1.6-tuto.1.orig/src/art/calcfo_sw.f90 2011-10-17 08:46:50.000000000 +0000 -+++ bigdft-1.6-tuto.1/src/art/calcfo_sw.f90 2012-06-22 12:58:35.000000000 +0000 -@@ -475,6 +475,28 @@ function diff_square_force_one(P,numnei, - integer :: trash_evalf - real(8), dimension(3*natoms,configs_to_fit) :: force_tempo,tmp_force - -+interface -+! subroutine to compute forces of one atom -+subroutine SWcalczone(nat,posa,boxl,tmp_force, this_atom,numnei,nei) -+ -+ -+ use SWpotential -+ use defs, only : boundary,maxnei,iproc,MPI_COMM_WORLD -+ -+ implicit none -+ -+ integer, intent(in) :: nat -+ real(kind=8), intent(in), dimension(3*nat) :: posa -+ real(kind=8), dimension(3), intent(inout) :: boxl -+ integer, intent(in) :: this_atom -+ real(8), intent(out), dimension(3*nat), target:: tmp_force -+ -+ -+ integer, dimension(nat),intent(in) :: numnei -+ integer, dimension(nat,maxnei),intent(in) :: nei -+end subroutine SWcalczone -+end interface -+ - trash_evalf = 0 - my_counter = 0 - force_tempo = force_work_fit diff --git a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-libxc_dir_include.patch b/sci-libs/bigdft/files/bigdft-1.6-tuto.1-libxc_dir_include.patch deleted file mode 100644 index 6d0f6046a..000000000 --- a/sci-libs/bigdft/files/bigdft-1.6-tuto.1-libxc_dir_include.patch +++ /dev/null @@ -1,50 +0,0 @@ ---- configure.ac.orig 2011-11-23 14:02:15.000000000 +0000 -+++ configure.ac 2011-11-23 14:09:19.000000000 +0000 -@@ -551,14 +551,17 @@ - ac_build_libxc="no" - AC_ARG_ENABLE(libxc, AS_HELP_STRING([--disable-libxc], [Do not link with libXC library (default = yes).]), ac_use_libxc=$enableval, ac_use_libxc="yes") - AC_ARG_ENABLE(internal-libxc, AS_HELP_STRING([--disable-internal-libxc], [Do not build and link with internal libXC library (default = yes).]), ac_internal_libxc=$enableval, ac_internal_libxc="yes") --AC_ARG_WITH(libxc-path, AS_HELP_STRING([--with-libxc-path], [Give the path for an external libXC library, lib and module files (default = None).]), -+AC_ARG_WITH(libxc-path, AS_HELP_STRING([--with-libxc-path], [Give the path for an external libXC library, lib files (default = None).]), - ac_libxc_dir=$withval, ac_libxc_dir=) -+AC_ARG_WITH(libxc-include, AS_HELP_STRING([--with-libxc-include], [Give the path for an external libXC library module files (default = None).]), -+ ac_libxc_dir_include=$withval, ac_libxc_dir_include=) - if test x"$ac_use_libxc" = x"yes" ; then - ac_build_libxc=$ac_internal_libxc - if test "$ac_internal_libxc" = "yes" ; then - ac_build_libxc="yes" - ac_use_libxc="yes" - ac_libxc_dir="$top_builddir"/libxc-1.1.0/src -+ ac_libxc_dir_include="$ac_libxc_dir"/include - AC_SUBST(LIBXC_DIR, "\$(top_builddir)"/libxc-1.1.0/src) - AC_SUBST(LIBXC_INCLUDE, "-I\$(top_builddir)"/libxc-1.1.0/src) - LDFLAGS="$LDFLAGS -L\$(top_builddir)/libxc-1.1.0/src/.libs" -@@ -566,6 +569,9 @@ - else - if test -n "$ac_libxc_dir" ; then - LDFLAGS="$LDFLAGS -L$ac_libxc_dir/lib" -+ if test x"$ac_libxc_dir_include" = x ; then -+ ac_libxc_dir_include="$ac_libxc_dir"/include -+ fi - - dnl Test the given implementation of libXC. - ac_libxc_libname="xc" -@@ -574,13 +580,13 @@ - ac_libxc_libname="dft_xc" - AC_CHECK_LIB($ac_libxc_libname, xc_f90_lda_vxc, withlibxc=yes, withlibxc=no) - fi -- AC_CHECK_FILE($ac_libxc_dir/include/libxc_funcs_m.$capitalize_module_ext, funcs="yes", funcs="no") -- AC_CHECK_FILE($ac_libxc_dir/include/xc_f90_lib_m.$capitalize_module_ext, lib="yes", lib="no") -- AC_CHECK_FILE($ac_libxc_dir/include/xc_f90_types_m.$capitalize_module_ext, types="yes", types="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/libxc_funcs_m.$capitalize_module_ext, funcs="yes", funcs="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/xc_f90_lib_m.$capitalize_module_ext, lib="yes", lib="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/xc_f90_types_m.$capitalize_module_ext, types="yes", types="no") - if test "$withlibxc" = "yes" -a "$funcs" = "yes" -a "$lib" = "yes" -a "$types" = "yes"; then - ac_use_libxc="yes" -- AC_SUBST(LIBXC_DIR, $ac_libxc_dir/include) -- AC_SUBST(LIBXC_INCLUDE, "-I"$ac_libxc_dir/include) -+ AC_SUBST(LIBXC_DIR, $ac_libxc_dir_include) -+ AC_SUBST(LIBXC_INCLUDE, "-I"$ac_libxc_dir_include) - LIBXC_LIBS="-l"$ac_libxc_libname - fi - else diff --git a/sci-libs/bigdft/files/bigdft-1.6.0-libxc_dir_include.patch b/sci-libs/bigdft/files/bigdft-1.6.0-libxc_dir_include.patch deleted file mode 100644 index 7179fcb0f..000000000 --- a/sci-libs/bigdft/files/bigdft-1.6.0-libxc_dir_include.patch +++ /dev/null @@ -1,50 +0,0 @@ ---- configure.ac.orig 2011-11-23 14:02:15.000000000 +0000 -+++ configure.ac 2011-11-23 14:09:19.000000000 +0000 -@@ -604,14 +604,17 @@ - ac_build_libxc="no" - AC_ARG_WITH(libxc, AS_HELP_STRING([--without-libxc], [Do not link with libXC library (default = yes).]), ac_use_libxc=$enableval, ac_use_libxc="yes") - AC_ARG_ENABLE(internal-libxc, AS_HELP_STRING([--disable-internal-libxc], [Do not build and link with internal libXC library (default = yes).]), ac_internal_libxc=$enableval, ac_internal_libxc="yes") --AC_ARG_WITH(libxc-path, AS_HELP_STRING([--with-libxc-path], [Give the path for an external libXC library, lib and module files (default = None).]), -+AC_ARG_WITH(libxc-path, AS_HELP_STRING([--with-libxc-path], [Give the path for an external libXC library, lib files (default = None).]), - ac_libxc_dir=$withval, ac_libxc_dir=) -+AC_ARG_WITH(libxc-include, AS_HELP_STRING([--with-libxc-include], [Give the path for an external libXC library module files (default = None).]), -+ ac_libxc_dir_include=$withval, ac_libxc_dir_include=) - if test x"$ac_use_libxc" = x"yes" ; then - ac_build_libxc=$ac_internal_libxc - if test "$ac_internal_libxc" = "yes" ; then - ac_build_libxc="yes" - ac_use_libxc="yes" - ac_libxc_dir="$top_builddir"/libxc-1.1.0/src -+ ac_libxc_dir_include="$ac_libxc_dir"/include - AC_SUBST(LIBXC_DIR, "\$(top_builddir)"/libxc-1.1.0/src) - AC_SUBST(LIBXC_INCLUDE, "-I\$(top_builddir)"/libxc-1.1.0/src) - LDFLAGS="$LDFLAGS -L\$(top_builddir)/libxc-1.1.0/src/.libs" -@@ -619,6 +622,9 @@ - else - if test -n "$ac_libxc_dir" ; then - LDFLAGS="$LDFLAGS -L$ac_libxc_dir/lib" -+ if test x"$ac_libxc_dir_include" = x ; then -+ ac_libxc_dir_include="$ac_libxc_dir"/include -+ fi - - dnl Test the given implementation of libXC. - ac_libxc_libname="xc" -@@ -587,13 +593,13 @@ - ac_libxc_libname="dft_xc" - AC_CHECK_LIB($ac_libxc_libname, xc_f90_lda_vxc, withlibxc=yes, withlibxc=no) - fi -- AC_CHECK_FILE($ac_libxc_dir/include/libxc_funcs_m.$ax_fc_mod_ext, funcs="yes", funcs="no") -- AC_CHECK_FILE($ac_libxc_dir/include/xc_f90_lib_m.$ax_fc_mod_ext, lib="yes", lib="no") -- AC_CHECK_FILE($ac_libxc_dir/include/xc_f90_types_m.$ax_fc_mod_ext, types="yes", types="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/libxc_funcs_m.$ax_fc_mod_ext, funcs="yes", funcs="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/xc_f90_lib_m.$ax_fc_mod_ext, lib="yes", lib="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/xc_f90_types_m.$ax_fc_mod_ext, types="yes", types="no") - if test "$withlibxc" = "yes" -a "$funcs" = "yes" -a "$lib" = "yes" -a "$types" = "yes"; then - ac_use_libxc="yes" -- AC_SUBST(LIBXC_DIR, $ac_libxc_dir/include) -- AC_SUBST(LIBXC_INCLUDE, "-I"$ac_libxc_dir/include) -+ AC_SUBST(LIBXC_DIR, $ac_libxc_dir_include) -+ AC_SUBST(LIBXC_INCLUDE, "-I"$ac_libxc_dir_include) - LIBXC_LIBS="-l"$ac_libxc_libname - fi - else diff --git a/sci-libs/bigdft/files/bigdft-1.7-dev.12-GPUlink.patch b/sci-libs/bigdft/files/bigdft-1.7-dev.12-GPUlink.patch deleted file mode 100644 index f4b0e18a9..000000000 --- a/sci-libs/bigdft/files/bigdft-1.7-dev.12-GPUlink.patch +++ /dev/null @@ -1,12 +0,0 @@ -diff -Naurp bigdft-1.7-dev.12.orig/S_GPU/src/Makefile.in bigdft-1.7-dev.12/S_GPU/src/Makefile.in ---- bigdft-1.7-dev.12.orig/S_GPU/src/Makefile.in 2012-07-16 08:24:00.000000000 +0000 -+++ bigdft-1.7-dev.12/S_GPU/src/Makefile.in 2013-02-19 15:59:06.142835878 +0000 -@@ -88,7 +88,7 @@ am__objects_1 = libs_gpu_la-s_gpu_C.lo \ - libs_gpu_la-s_gpu_F.lo - am_libs_gpu_la_OBJECTS = $(am__objects_1) - libs_gpu_la_OBJECTS = $(am_libs_gpu_la_OBJECTS) --libs_gpu_la_LINK = $(LIBTOOL) --tag=CXX $(libs_gpu_la_LIBTOOLFLAGS) \ -+libs_gpu_la_LINK = $(LIBTOOL) --tag=CXX $(AM_LIBTOOLFLAGS) \ - $(LIBTOOLFLAGS) --mode=link $(CXXLD) $(AM_CXXFLAGS) \ - $(CXXFLAGS) $(libs_gpu_la_LDFLAGS) $(LDFLAGS) -o $@ - DEFAULT_INCLUDES = -I.@am__isrc@ -I$(top_builddir) diff --git a/sci-libs/bigdft/files/bigdft-1.7-dev.12-libxc_dir_include.patch b/sci-libs/bigdft/files/bigdft-1.7-dev.12-libxc_dir_include.patch deleted file mode 100644 index 9084d08e5..000000000 --- a/sci-libs/bigdft/files/bigdft-1.7-dev.12-libxc_dir_include.patch +++ /dev/null @@ -1,50 +0,0 @@ ---- configure.ac.orig 2011-11-23 14:02:15.000000000 +0000 -+++ configure.ac 2011-11-23 14:09:19.000000000 +0000 -@@ -743,14 +743,17 @@ - ac_build_libxc="no" - AC_ARG_ENABLE(libxc, AS_HELP_STRING([--without-libxc], [Do not link with libXC library (default = yes).]), ac_use_libxc=$enableval, ac_use_libxc="yes") - AC_ARG_ENABLE(internal-libxc, AS_HELP_STRING([--disable-internal-libxc], [Do not build and link with internal libXC library (default = yes).]), ac_internal_libxc=$enableval, ac_internal_libxc="yes") --AC_ARG_WITH(libxc-path, AS_HELP_STRING([--with-libxc-path], [Give the path for an external libXC library, lib and module files (default = None).]), -+AC_ARG_WITH(libxc-path, AS_HELP_STRING([--with-libxc-path], [Give the path for an external libXC library, lib files (default = None).]), - ac_libxc_dir=$withval, ac_libxc_dir=) -+AC_ARG_WITH(libxc-include, AS_HELP_STRING([--with-libxc-include], [Give the path for an external libXC library module files (default = None).]), -+ ac_libxc_dir_include=$withval, ac_libxc_dir_include=) - if test x"$ac_use_libxc" = x"yes" ; then - ac_build_libxc=$ac_internal_libxc - if test "$ac_internal_libxc" = "yes" ; then - ac_build_libxc="yes" - ac_use_libxc="yes" - ac_libxc_dir="$top_builddir"/libxc-1.1.0/src -+ ac_libxc_dir_include="$ac_libxc_dir"/include - AC_SUBST(LIBXC_DIR, "\$(top_builddir)"/libxc-1.1.0/src) - AC_SUBST(LIBXC_INCLUDE, "-I\$(top_builddir)"/libxc-1.1.0/src) - LDFLAGS="$LDFLAGS -L\$(top_builddir)/libxc-1.1.0/src/.libs" -@@ -758,6 +761,9 @@ - else - if test -n "$ac_libxc_dir" ; then - LDFLAGS="$LDFLAGS -L$ac_libxc_dir/lib" -+ if test x"$ac_libxc_dir_include" = x ; then -+ ac_libxc_dir_include="$ac_libxc_dir"/include -+ fi - - dnl Test the given implementation of libXC. - ac_libxc_libname="xc" -@@ -766,13 +772,13 @@ - ac_libxc_libname="dft_xc" - AC_CHECK_LIB($ac_libxc_libname, xc_f90_lda_vxc, withlibxc=yes, withlibxc=no) - fi -- AC_CHECK_FILE($ac_libxc_dir/include/libxc_funcs_m.$ax_fc_mod_ext, funcs="yes", funcs="no") -- AC_CHECK_FILE($ac_libxc_dir/include/xc_f90_lib_m.$ax_fc_mod_ext, lib="yes", lib="no") -- AC_CHECK_FILE($ac_libxc_dir/include/xc_f90_types_m.$ax_fc_mod_ext, types="yes", types="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/libxc_funcs_m.$ax_fc_mod_ext, funcs="yes", funcs="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/xc_f90_lib_m.$ax_fc_mod_ext, lib="yes", lib="no") -+ AC_CHECK_FILE($ac_libxc_dir_include/xc_f90_types_m.$ax_fc_mod_ext, types="yes", types="no") - if test "$withlibxc" = "yes" -a "$funcs" = "yes" -a "$lib" = "yes" -a "$types" = "yes"; then - ac_use_libxc="yes" -- AC_SUBST(LIBXC_DIR, $ac_libxc_dir/include) -- AC_SUBST(LIBXC_INCLUDE, "-I"$ac_libxc_dir/include) -+ AC_SUBST(LIBXC_DIR, $ac_libxc_dir_include) -+ AC_SUBST(LIBXC_INCLUDE, "-I"$ac_libxc_dir_include) - LIBXC_LIBS="-l"$ac_libxc_libname - fi - else diff --git a/sci-libs/bigdft/files/bigdft-1.7-dev.12-nolib_mods.patch b/sci-libs/bigdft/files/bigdft-1.7-dev.12-nolib_mods.patch deleted file mode 100644 index 8137a48ab..000000000 --- a/sci-libs/bigdft/files/bigdft-1.7-dev.12-nolib_mods.patch +++ /dev/null @@ -1,25 +0,0 @@ -diff -Naurp bigdft-1.7-dev.12.orig/src/Makefile.am bigdft-1.7-dev.12/src/Makefile.am ---- bigdft-1.7-dev.12.orig/src/Makefile.am 2012-07-16 07:46:11.000000000 +0000 -+++ bigdft-1.7-dev.12/src/Makefile.am 2013-01-09 14:09:58.198905489 +0000 -@@ -45,6 +45,9 @@ EXTRA_DIST = \ - # ------------- - if BUILD_LIB_BIGDFT - lib_bigdft = libbigdft.a libdft_common.a -+else -+lib_bigdft = -+endif - PS_SOURCES = PSolver/Build_Kernel.f90 \ - PSolver/xcenergy.f90 \ - PSolver/3Dgradient.f90 \ -@@ -53,11 +56,6 @@ PS_SOURCES = PSolver/Build_Kernel.f90 \ - PSolver/wofz.f90 \ - lib/fft/fft3d.f90 - PS_MODULES = PSolver/Poisson_Solver.f90 --else --lib_bigdft = --PS_SOURCES = --PS_MODULES = --endif - if BUILD_BINARIES - binaries_sources = bigdft memguess splsad NEB frequencies MDanalysis $(minima_hopping_sources) bart abscalc BigDFT2Wannier WaCo - local_binaries = test_forces diff --git a/sci-libs/bigdft/files/bigdft-1.7-dev.12-tests.tar.bz2 b/sci-libs/bigdft/files/bigdft-1.7-dev.12-tests.tar.bz2 deleted file mode 100644 index d74c56176..000000000 Binary files a/sci-libs/bigdft/files/bigdft-1.7-dev.12-tests.tar.bz2 and /dev/null differ diff --git a/sci-libs/bigdft/metadata.xml b/sci-libs/bigdft/metadata.xml deleted file mode 100644 index fcc220851..000000000 --- a/sci-libs/bigdft/metadata.xml +++ /dev/null @@ -1,10 +0,0 @@ - - - -sci - - Add cuda support - Undocumented USE - Undocumented USE - - -- cgit v1.2.3-65-gdbad