From baefa0bf89ac382b08e24e32646c176a475b4add Mon Sep 17 00:00:00 2001 From: Honza Macháček Date: Thu, 30 May 2013 15:21:59 +0200 Subject: sci-chemistry/freeon improved, the ebuild of the latest snapshot added. sci-chemistry/nwchem bumped to 6.3, building docs allowed. --- sci-chemistry/freeon/ChangeLog | 8 ++++ sci-chemistry/freeon/Manifest | 1 + .../files/freeon-2012.05.03-no_internal_libs.patch | 50 ++++++++++++++++++++ .../files/freeon-9999-no_internal_libs.patch | 47 +++++++++++++++++++ sci-chemistry/freeon/freeon-2012.05.03.ebuild | 53 ++++++++++++++++++++++ sci-chemistry/freeon/freeon-9999.ebuild | 9 ++++ 6 files changed, 168 insertions(+) create mode 100644 sci-chemistry/freeon/Manifest create mode 100644 sci-chemistry/freeon/files/freeon-2012.05.03-no_internal_libs.patch create mode 100644 sci-chemistry/freeon/files/freeon-9999-no_internal_libs.patch create mode 100644 sci-chemistry/freeon/freeon-2012.05.03.ebuild (limited to 'sci-chemistry/freeon') diff --git a/sci-chemistry/freeon/ChangeLog b/sci-chemistry/freeon/ChangeLog index 25af9d785..4e266dee5 100644 --- a/sci-chemistry/freeon/ChangeLog +++ b/sci-chemistry/freeon/ChangeLog @@ -2,6 +2,14 @@ # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*freeon-2012.05.03 (30 May 2013) + + 30 May 2013; Honza Macháček + +freeon-2012.05.03.ebuild, freeon-9999.ebuild, + +files/freeon-2012.05.03-no_internal_libs.patch, + +files/freeon-9999-no_internal_libs.patch: + Internal hdf5 and lapack removed, the ebuild of the latest snapshot added. + 22 Feb 2013; Justin Lecher freeon-9999.ebuild, metadata.xml: Add missing dep on virtual/pkgconfig; bump to eapi=5; use pkg-config to diff --git a/sci-chemistry/freeon/Manifest b/sci-chemistry/freeon/Manifest new file mode 100644 index 000000000..8cf18b96f --- /dev/null +++ b/sci-chemistry/freeon/Manifest @@ -0,0 +1 @@ +DIST freeon-beta-2012-05-03.tar.bz2 15259173 SHA256 48a4657fd99aed25f90fd68e50e515b691b5c09d2b7c8305ddfb35bd1d2ba17c SHA512 30b5d5406df3eb0bd44166e78e16df2013e40b024f0350caefaf08d5c157308896d6ade66a7184f7c8e93c5db6c39c7f3a73340d48b06c5acb6272de525ce18a WHIRLPOOL 55aa72b03b414be40987fab416bf17c3cc4f9b2783501830ffc8c27b987c73fa471878024f04139266c69d9c76f16476737b2241f294ec9b32f828d831b0b7ac diff --git a/sci-chemistry/freeon/files/freeon-2012.05.03-no_internal_libs.patch b/sci-chemistry/freeon/files/freeon-2012.05.03-no_internal_libs.patch new file mode 100644 index 000000000..e37622b0e --- /dev/null +++ b/sci-chemistry/freeon/files/freeon-2012.05.03-no_internal_libs.patch @@ -0,0 +1,50 @@ +diff -Naurp freeon-beta-2012-05-03.orig/Makefile.am freeon-beta-2012-05-03/Makefile.am +--- freeon-beta-2012-05-03.orig/Makefile.am 2012-05-04 03:53:04.000000000 +0000 ++++ freeon-beta-2012-05-03/Makefile.am 2013-05-29 14:42:07.791473885 +0000 +@@ -5,18 +5,9 @@ ACLOCAL_AMFLAGS = -I m4 + CPP = @CPP@ + AM_CPPFLAGS = @AM_CPPFLAGS@ + +-if INTERNAL_LAPACK +-INTERNAL_LAPACK_DIRS = lapack +-endif ++SUBDIRS = Modules FreeON SCFeqs OneE QCTC HiCu TwoE ONX PostProcessing BasisSets tests Validate + +-if INTERNAL_HDF5 +-INTERNAL_HDF5_DIRS = hdf5-1.8.3 +-HDF5_INCLUDES = -I$(srcdir)/hdf5-1.8.3/src -I$(builddir)/hdf5-1.8.3/src +-endif +- +-SUBDIRS = $(INTERNAL_LAPACK_DIRS) $(INTERNAL_HDF5_DIRS) Modules FreeON SCFeqs OneE QCTC HiCu TwoE ONX PostProcessing BasisSets tests Validate +- +-DIST_SUBDIRS = $(SUBDIRS) lapack hdf5-1.8.3 ++DIST_SUBDIRS = $(SUBDIRS) + + EXTRA_DIST = fix_localversion.sh localversion FreeON.bibtex $(top_builddir)/latex/refman.pdf + +--- freeon-beta-2012-05-03.orig/configure.ac 2012-05-04 04:38:47.000000000 +0000 ++++ freeon-beta-2012-05-03/configure.ac 2013-05-29 15:04:02.886109082 +0000 +@@ -855,7 +855,6 @@ AC_MSG_RESULT([${use_internal_hdf5}]) + + AM_CONDITIONAL(INTERNAL_HDF5, [test "${use_internal_hdf5}" = "yes"]) + +-AC_CONFIG_SUBDIRS([hdf5-1.8.3]) + + if test "${use_internal_hdf5}" = "yes"; then + +@@ -1027,15 +1026,6 @@ Makefile + documentation/main_page.h + FreeON/Makefile + Modules/Makefile +-lapack/Makefile +-lapack/install/Makefile +-lapack/blas/Makefile +-lapack/lapack/Makefile +-lapack/blas_testing/Makefile +-lapack/lapack_testing/Makefile +-lapack/lapack_testing/lin/Makefile +-lapack/lapack_testing/eig/Makefile +-lapack/lapack_testing/matgen/Makefile + SCFeqs/Makefile + OneE/Makefile + QCTC/Makefile diff --git a/sci-chemistry/freeon/files/freeon-9999-no_internal_libs.patch b/sci-chemistry/freeon/files/freeon-9999-no_internal_libs.patch new file mode 100644 index 000000000..a908aa7d9 --- /dev/null +++ b/sci-chemistry/freeon/files/freeon-9999-no_internal_libs.patch @@ -0,0 +1,47 @@ +diff -Naurp freeon-9999.orig/Modules/Makefile.am freeon-9999/Modules/Makefile.am +--- freeon-9999.orig/Modules/Makefile.am 2013-05-28 08:09:39.000000000 +0000 ++++ freeon-9999/Modules/Makefile.am 2013-05-29 14:32:24.879721200 +0000 +@@ -1,17 +1,5 @@ + include $(top_srcdir)/make.inc + +-if INTERNAL_LAPACK +-INTERNAL_LAPACK_DIRS = lapack +-endif +- +-if INTERNAL_HDF5 +-INTERNAL_HDF5_DIRS = hdf5-1.8.3 +-HDF5_INCLUDES = -I$(srcdir)/hdf5-1.8.3/src -I$(builddir)/hdf5-1.8.3/src +-endif +- +-DIST_SUBDIRS = lapack hdf5-1.8.3 +-SUBDIRS = $(INTERNAL_HDF5_DIRS) $(INTERNAL_LAPACK_DIRS) +- + if USE_DYNAMIC_LINKING + lib_LTLIBRARIES = libfreeonmodules.la + else +--- freeon-9999.orig/configure.ac 2013-05-29 15:34:16.000000000 +0000 ++++ freeon-9999/configure.ac 2013-05-29 15:36:22.000063299 +0000 +@@ -870,7 +870,6 @@ AM_CONDITIONAL(INTERNAL_HDF5, [test "${u + if test "${use_internal_hdf5}" = "yes"; then + + AC_DEFINE(HAVE_INTERNAL_HDF5, 1, [Use the inernal hdf5 library.]) +- AC_CONFIG_SUBDIRS([Modules/hdf5-1.8.3]) + + else + +@@ -1069,15 +1068,6 @@ config_localversion.h + Makefile + FreeON/Makefile + Modules/Makefile +-Modules/lapack/Makefile +-Modules/lapack/install/Makefile +-Modules/lapack/blas/Makefile +-Modules/lapack/lapack/Makefile +-Modules/lapack/blas_testing/Makefile +-Modules/lapack/lapack_testing/Makefile +-Modules/lapack/lapack_testing/lin/Makefile +-Modules/lapack/lapack_testing/eig/Makefile +-Modules/lapack/lapack_testing/matgen/Makefile + SCFeqs/Makefile + OneE/Makefile + QCTC/Makefile diff --git a/sci-chemistry/freeon/freeon-2012.05.03.ebuild b/sci-chemistry/freeon/freeon-2012.05.03.ebuild new file mode 100644 index 000000000..99805e0dc --- /dev/null +++ b/sci-chemistry/freeon/freeon-2012.05.03.ebuild @@ -0,0 +1,53 @@ +# Copyright 1999-2013 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=5 + +AUTOTOOLS_AUTORECONF=1 + +FORTRAN_STANDARD=90 + +inherit autotools-utils fortran-2 + +REAL_PN="${PN}-beta" +REAL_PV="${PV//./-}" + +DESCRIPTION="an experimental suite of programs for linear scaling quantum chemistry." +HOMEPAGE="http://www.freeon.org" +SRC_URI="http://download.savannah.gnu.org/releases/${PN}/${REAL_PN}-${REAL_PV}.tar.bz2" + +LICENSE="GPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="static-libs" + +RDEPEND=" + sys-libs/zlib + sci-libs/hdf5 + virtual/blas + virtual/lapack" +DEPEND="${DEPEND} + virtual/pkgconfig" + +S="${WORKDIR}/${REAL_PN}-${REAL_PV}" + +src_prepare() { + # Get rid of the obsolete internal hdf5 + rm -r "${S}"/hdf5-1.8.3 + # as well as of the internal lapack + rm -r "${S}"/lapack + epatch "${FILESDIR}"/"${P}"-no_internal_libs.patch + eautoreconf +} + +src_configure() { + local myeconfargs=( + --disable-internal-hdf5 + --disable-static-binaries + --disable-internal-lapack + --with-lapacklibs="$($(tc-getPKG_CONFIG) --libs lapack)" + ) + #TODO mv BasisSets from /usr to /usr/share/freeon/ + autotools-utils_src_configure +} diff --git a/sci-chemistry/freeon/freeon-9999.ebuild b/sci-chemistry/freeon/freeon-9999.ebuild index 2fe44e90d..369e063f8 100644 --- a/sci-chemistry/freeon/freeon-9999.ebuild +++ b/sci-chemistry/freeon/freeon-9999.ebuild @@ -30,6 +30,15 @@ RDEPEND=" DEPEND="${DEPEND} virtual/pkgconfig" +src_prepare() { + # Get rid of the obsolete internal hdf5 + rm -r "${S}"/Modules/hdf5-1.8.3 + # as well as of the internal lapack + rm -r "${S}"/Modules/lapack + epatch "${FILESDIR}"/"${P}"-no_internal_libs.patch + eautoreconf +} + src_configure() { local myeconfargs=( --disable-internal-hdf5 -- cgit v1.2.3-65-gdbad