sci-physics/abinit updated to 6.10.3, sci-libs/bigdft to 1.2.0.5, and sci-libs/libxc to 1.1.0

4 files changed, 86 insertions, 18 deletions

diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 5fb986c34..b6b882218 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,14 @@
 # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*abinit-6.10.3 (14 Dec 2011)
+
+  14 Dec 2011; Honza Macháček <Hloupy.Honza@centrum.cz> -abinit-6.8.1.ebuild,
+  +abinit-6.10.3.ebuild, metadata.xml:
+  Version bump to 6.10.3, gui use-flag added. Update of sci-libs/bigdft to 1.2.0.5 was necessary,
+  sci-libs/libxc updated to 1.1.0 alongside. Ebuild for abinit-6.8.1 removed,
+  6.6.3 and 6.10.1 retained for now.
+
 *abinit-6.10.1 (09 Nov 2011)
 
   09 Nov 2011; Honza Macháček <Hloupy.Honza@centrum.cz>
diff --git a/sci-physics/abinit/Manifest b/sci-physics/abinit/Manifest
index 07aab8a3f..f78ef5406 100644
--- a/sci-physics/abinit/Manifest
+++ b/sci-physics/abinit/Manifest
@@ -2,12 +2,12 @@ AUX 6.0.3-fftw.patch 571 RMD160 b15b2905fd46a1c0f6fcc99c317b1b52a327ef12 SHA1 b5
 AUX 6.2.2-change-default-directories.patch 1006 RMD160 ba252ecc7f5592f4df762716582c6e331a5e994f SHA1 4d79a7a261211c44692c09e63197261bfdb2c06e SHA256 8865966dd0d94b00443faae62b58e9938a5ba5d15bc32b59f79f815922f91c44
 AUX 6.6.1-openmp.patch 19735 RMD160 6e6e42a5f030bdfb859583dd5e72ea434e980bcf SHA1 51c032ca7f52fe4e1c4afe86f2cb019166d4afbb SHA256 9568ace3732159ae395a3eef069338ded1d734becde1b8b382a58adf2f254933
 DIST abinit-6.10.1.tar.gz 44363678 RMD160 44d4aaeb58fdbc81f376025dbf4c13af91e6aa4d SHA1 2fb55ab80b1a90756dd664086c3263636716ef82 SHA256 a28c76829d4230937c3a4e670cebeaf3b8e3989a532c189dddabdafe26da8c8a
+DIST abinit-6.10.3.tar.gz 69158203 RMD160 5b9c9fea3d488aa5f819037e8ae0acc0a19512ef SHA1 d47b72e226d722eed3eadb30890ad534617328e3 SHA256 185c45c7c9caf5f735d841fa85b2dfc612eee81b76f905a9988b5f0994be6fb5
 DIST abinit-6.6.3.tar.gz 41161321 RMD160 f9169812cfb2dc30f752bf0ab0ffc41250ea0bbb SHA1 02c9fd6abe1b73164b804b6e0b1f829ec9fd286e SHA256 fad84d3e774e3b4ba16f2a2924e60b8ba42ab21fefd89d8ce4848f9a9e03f774
-DIST abinit-6.8.1.tar.gz 43548991 RMD160 320de2b02862ba5ebf2e0ac209e4f63bf457345f SHA1 00b78334fc6f2859665a720c98cf318eed0d57b2 SHA256 6a8ff5f88ee765b8c71fc80a171c61213f1143399f3de66364d32a9560f22689
 DIST abinit-6.8.2.tar.gz 43565001 RMD160 151fcd3fa3c8aad204aa01a0877b101b7faf0550 SHA1 2b96bb175e1946c48ee3a72064b08ccc1b8dbdea SHA256 7a0e8ebfce50ae18e5c4f25f9bfd534623a41985082efead918a3878464a181c
 EBUILD abinit-6.10.1.ebuild 6788 RMD160 878fed296ae0210a40280b125252e728975282d9 SHA1 7f6f7d8c37e3bc9cdcb92a62cfdd2af1cb334fec SHA256 8d122654453ee55124579bf7e62f61d9a0ce2c19ee9b811dc9083be66641585f
+EBUILD abinit-6.10.3.ebuild 7808 RMD160 d99cfb92bfdcc7f4e2f6bb00f69e1f23f8463444 SHA1 d02e518a508067e43745f1d90a4f263c3b9b8dff SHA256 db770d965960f3afd79a81ab33a015fa08a294ffe6ab28a27c21e7733ccb926b
 EBUILD abinit-6.6.3.ebuild 6256 RMD160 88bf466811c42d04a57c1ddc6d3949d3ca6cdabf SHA1 3bdf27623990cb4e2131d333c6e5f690742e034a SHA256 fef385cfc374e619c12918ddcfe3c4c6e9e72eb297c1663e948eedfc2a6e675c
-EBUILD abinit-6.8.1.ebuild 6256 RMD160 88bf466811c42d04a57c1ddc6d3949d3ca6cdabf SHA1 3bdf27623990cb4e2131d333c6e5f690742e034a SHA256 fef385cfc374e619c12918ddcfe3c4c6e9e72eb297c1663e948eedfc2a6e675c
 EBUILD abinit-6.8.2.ebuild 6788 RMD160 878fed296ae0210a40280b125252e728975282d9 SHA1 7f6f7d8c37e3bc9cdcb92a62cfdd2af1cb334fec SHA256 8d122654453ee55124579bf7e62f61d9a0ce2c19ee9b811dc9083be66641585f
-MISC ChangeLog 3698 RMD160 f215bffc8661d196b89c0480721eab5e2f0b8275 SHA1 6e638b4f2f868ac76c9741d70aa1d3d0190488b9 SHA256 f2131ad5fd54ff7ca08c9bb218b273e5393b2eb282426450766552efde84d2e7
-MISC metadata.xml 1322 RMD160 116c9176cdc79df1f425a74992f1aebcdbbb3850 SHA1 1c56aa3d3c93d58fdc9d22434970175a08c90562 SHA256 72a4b2eb56651bc52a0ebeea89515dbafcd23ac065e7d9a62a433e8a4c12d5b9
+MISC ChangeLog 4061 RMD160 c16d6e755a36979fb5deb1a605c10e0d5f9c98be SHA1 7fd291dc12d46f9caa658bf619bad4d3075bd656 SHA256 d5dd3256fbc5e9e93f1fe04b558892fe453574c67bae147ca27d73b244819387
+MISC metadata.xml 1405 RMD160 d9e77bb0da99c7df51b9c1336a8df9596952ef54 SHA1 27a30b3d77a5dbdc75929f10543027053b78b684 SHA256 4fcda1d0a6170b26ad5a0d76bb1291134e178241d6a8bacf1d2d82e92fe2134b
diff --git a/sci-physics/abinit/abinit-6.8.1.ebuild b/sci-physics/abinit/abinit-6.10.3.ebuild
index 3799d0578..f07355891 100644
--- a/sci-physics/abinit/abinit-6.8.1.ebuild
+++ b/sci-physics/abinit/abinit-6.10.3.ebuild
@@ -13,11 +13,11 @@ SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
 LICENSE="GPL-2"
 SLOT="0"
 KEYWORDS="~amd64 ~x86"
-IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python -test +threads -vdwxc"
+IUSE="cuda -debug +fftw +fftw-threads +fox gsl gui +hdf5 mpi +netcdf python -test +threads -vdwxc"
 
-RDEPEND=">=sci-libs/bigdft-1.2.0.2
+RDEPEND=">=sci-libs/bigdft-1.2.0.5
 	sci-libs/etsf_io
-	=sci-libs/libxc-1.0[fortran]
+	=sci-libs/libxc-1*[fortran]
 	sci-physics/atompaw[libxc]
 	fox? ( sci-libs/fox[dom,sax,wcml,wxml] )
 	netcdf? (
@@ -33,17 +33,22 @@ RDEPEND=">=sci-libs/bigdft-1.2.0.2
 	gsl? ( sci-libs/gsl )
 	fftw? (
 		sci-libs/fftw:3.0
-		threads? ( sci-libs/fftw:3.0[threads] )
+		fftw-threads? ( sci-libs/fftw:3.0[threads] )
 		)
 	mpi? ( virtual/mpi )
 	python? ( dev-python/numpy )
 	cuda? ( dev-util/nvidia-cuda-sdk )"
 DEPEND="${RDEPEND}
 	dev-util/pkgconfig
+	gui? ( >=virtual/jdk-1.6.0
+		app-arch/sharutils
+		sys-apps/gawk )
 	dev-perl/Text-Markdown"
 
 S=${WORKDIR}/${P%[a-z]}
 
+lat1loc=""
+
 pkg_setup() {
 	fortran-2_pkg_setup
 	# Doesn't compile with gcc-4.0, only >=4.1
@@ -53,6 +58,27 @@ pkg_setup() {
 				die "Requires gcc-4.1 or newer"
 		fi
 	fi
+	if use fftw-threads && ! use fftw; then
+		ewarn "fftw-threads set but fftw 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_prepare() {
@@ -72,16 +98,28 @@ src_configure() {
 	use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
 	local fft_flavor="fftw3"
 	local fft_libs="-L/usr/lib"
-	# Since now, fftw threads support is protected by black magick.
-	# Anybody removes it again, dies.
-	# If it does not work FOR YOU, disable the "threads" USE flag
-	# for the package at YOUR box. If YOU want it disabled selectively
-	# for fftw use in abinit, you may consider adding a special USE flag
-	# for that. NEVER REMOVE AN OPTION FOR OTHERS, at least if there is
-	# anybody it works for.
-	if use threads; then
-		fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+	# The fftw threads support is protected by black magick.
+	# Anybody removes it, dies.
+	# New USE flag "fftw-threads" was added to control usage
+	# of the threaded fftw variant. Since fftw-3.3 has expanded
+	# the paralel options by MPI and OpenMP support, analogical
+	# USE flags should be added to select them in future;
+	# unusable with previous FFTW versions, they are postponed
+	# for now.
+	if use fftw-threads; then
 		fft_flavor="fftw3-threads"
+		if has_version '>=sci-libs/fftw-3.3'; then
+			# pkg-config files for fftw-3.3 are broken
+			# All the parallel stuff is separated
+			# from the main body of common routines,
+			# and -lfftw3 must be always included alongside.
+			# Until version 3.3 this used to be masked by
+			# .la files.
+			# Bug 384645
+			fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)"
+		else
+			fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+		fi
 	else
 		fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
 	fi
@@ -134,10 +172,21 @@ src_configure() {
 		CXX="${MY_CXX}" \
 		LD="$(tc-getLD)" \
 		FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include"
+
+	if use gui; then
+		cd gui
+		./bootstrap.sh
+		econf
+	fi
 }
 
 src_compile() {
-	emake || die
+	emake || die "make failed"
+
+	if use gui; then
+		cd gui
+		LC_CTYPE="${lat1loc}" emake || die "Making GUI failed"
+	fi
 }
 
 src_test() {
@@ -185,6 +234,12 @@ src_install() {
 		dodoc tests/summary_of_tests.tar || ewarn "Copying tests results failed"
 	fi
 
+	if use gui; then
+		( cd gui
+		emake DESTDIR="${D}" install || die "The GUI install failed" )
+	fi
+
+
 	dodoc KNOWN_PROBLEMS README || die "Copying doc files failed"
 }
 
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index 834b78f09..f1e580e97 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -21,6 +21,11 @@ ABINIT is a package whose main program allows one to find the total energy, char
   </flag>
 </use>
 <use>
+  <flag name="gui">
+   Build the abinit GUI (requires java)
+  </flag>
+</use>
+<use>
   <flag name="vdwxc">
    Activate van der Waals exchange-correlation
   </flag>