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authorHonza Macháček <Hloupy.Honza@centrum.cz>2013-05-30 15:21:59 +0200
committerHonza Macháček <Hloupy.Honza@centrum.cz>2013-05-30 15:21:59 +0200
commitbaefa0bf89ac382b08e24e32646c176a475b4add (patch)
tree107fc41fa5489651259655138afca2c01d5d25cb /sci-chemistry/freeon
parentMoved to tree (diff)
downloadsci-baefa0bf89ac382b08e24e32646c176a475b4add.tar.gz
sci-baefa0bf89ac382b08e24e32646c176a475b4add.tar.bz2
sci-baefa0bf89ac382b08e24e32646c176a475b4add.zip
sci-chemistry/freeon improved, the ebuild of the latest snapshot added. sci-chemistry/nwchem bumped to 6.3, building docs allowed.
Diffstat (limited to 'sci-chemistry/freeon')
-rw-r--r--sci-chemistry/freeon/ChangeLog8
-rw-r--r--sci-chemistry/freeon/Manifest1
-rw-r--r--sci-chemistry/freeon/files/freeon-2012.05.03-no_internal_libs.patch50
-rw-r--r--sci-chemistry/freeon/files/freeon-9999-no_internal_libs.patch47
-rw-r--r--sci-chemistry/freeon/freeon-2012.05.03.ebuild53
-rw-r--r--sci-chemistry/freeon/freeon-9999.ebuild9
6 files changed, 168 insertions, 0 deletions
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 <Hloupy.Honza@centrum.cz>
+ +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 <jlec@gentoo.org> 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