Always build shared libraries, so other programs can link against them without mixing PIC and non-PIC code. That breaks architectures including ppc, ppc64, amd64. Do some general ebuild cleanup, and add an RDEPEND so not all the build-time tools are required at runtime.

Package-Manager: portage-2.1_pre10-r5

5 files changed, 164 insertions, 23 deletions

diff --git a/sci-chemistry/ghemical/Manifest b/sci-chemistry/ghemical/Manifest
index 972d955c0275..0d0d84acb59a 100644
--- a/sci-chemistry/ghemical/Manifest
+++ b/sci-chemistry/ghemical/Manifest
@@ -27,6 +27,7 @@ DIST ghemical-1.01.tgz 2790798 size 2790798
 DIST ghemical-1.02.tgz 1692832 size 1692832
 DIST ghemical-1.90.tgz 1392772 size 1392772
 DIST ghemical-1.91.tgz 1389116 size 1389116
+DIST ghemical-2.01.tar.gz 2060867 RMD160 18332ba3067c463948671d220f7b0a693fe47aa1 SHA256 a0d5cc14b53cf132634f053f8779d0e720eb3d92e90ae154d4f41133beb8c4ae size 2060867
 EBUILD ghemical-1.00.ebuild 1169 RMD160 d19484b258dc419cb0a6359384bba72ed63aa0ae SHA1 7fd6b9692c288018305ea16199f0c60b95e78581 SHA256 9d306e8c2175362687821d95092e06e010c180f388e9a23770dd32b56909528a size 1169
 MD5 7eee9f49213553ee1ee395ec0d8c2384 ghemical-1.00.ebuild 1169
 RMD160 d19484b258dc419cb0a6359384bba72ed63aa0ae ghemical-1.00.ebuild 1169
@@ -47,10 +48,14 @@ EBUILD ghemical-1.91.ebuild 1432 RMD160 e0679dc46e03b75fd0e284cd96adc0dbcae73190
 MD5 a8544500e90b1f81c5b85193ba9c6df7 ghemical-1.91.ebuild 1432
 RMD160 e0679dc46e03b75fd0e284cd96adc0dbcae73190 ghemical-1.91.ebuild 1432
 SHA256 745d3b4e193537029b02372c4b9524153f44a8747ace4fb7cc5c0cd72b0c877e ghemical-1.91.ebuild 1432
-MISC ChangeLog 3003 RMD160 6ecb1240ae2564e4be9aa36caace70ec6e0264f4 SHA1 f712b02d3dec5a1077fd5e8ff940c1755ad0c50b SHA256 92740ad24a6e53d735a31eec37b9e0d054c8fbef0d0b829fba7996cd7fe99de5 size 3003
-MD5 1663974c1e48b7e972470d48db9273a7 ChangeLog 3003
-RMD160 6ecb1240ae2564e4be9aa36caace70ec6e0264f4 ChangeLog 3003
-SHA256 92740ad24a6e53d735a31eec37b9e0d054c8fbef0d0b829fba7996cd7fe99de5 ChangeLog 3003
+EBUILD ghemical-2.01.ebuild 1612 RMD160 984e46cd657e6dab8032ec5be058f49daf5364e8 SHA1 fc9e3ae2d047ee5fd9975de0ddd2a173ecfb0c14 SHA256 a20d1523b5a399d2cdf5741c726b4dbf7c1c2557083750082a6c754e1c2e1a24 size 1612
+MD5 805318279a4454837622c902ae653d1c ghemical-2.01.ebuild 1612
+RMD160 984e46cd657e6dab8032ec5be058f49daf5364e8 ghemical-2.01.ebuild 1612
+SHA256 a20d1523b5a399d2cdf5741c726b4dbf7c1c2557083750082a6c754e1c2e1a24 ghemical-2.01.ebuild 1612
+MISC ChangeLog 3192 RMD160 9d3396572b717712d24d6fa9e7a8a08e23494044 SHA1 fea57df2d8f0ce0ac524d1fd0e4b77a4ff61e4cb SHA256 91978143a6727cb204845f887df8605b8b482d190d673bce1a7fcbaf0fb20d13 size 3192
+MD5 d7e7eb0832bdd88b314569a1f5412d3d ChangeLog 3192
+RMD160 9d3396572b717712d24d6fa9e7a8a08e23494044 ChangeLog 3192
+SHA256 91978143a6727cb204845f887df8605b8b482d190d673bce1a7fcbaf0fb20d13 ChangeLog 3192
 MISC metadata.xml 156 RMD160 dc078172bfebcb25d69bdf8731714f9cce9d3e36 SHA1 da2b240a255820145b7c83a5c48e45b96b7e9ee6 SHA256 5d22100902db7507a5b5493dd4a66cdb08025faf80a2c0b75e6392315c47f900 size 156
 MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156
 RMD160 dc078172bfebcb25d69bdf8731714f9cce9d3e36 metadata.xml 156
@@ -70,3 +75,6 @@ SHA256 7dd2f116006372c7736805e17e823f3c8df8e2f1d8e1603db654e73342b679ac files/di
 MD5 c81eadc04bb5f3140fc2880e8b8c67ea files/digest-ghemical-1.91 63
 RMD160 d5df4cbd8efe45593d039c45162418b7b41a3cca files/digest-ghemical-1.91 63
 SHA256 7c7f98ff8b01c8d2c063c18cddb2f8eca10b51dd9eabf0c83f0744a8f3d84aa4 files/digest-ghemical-1.91 63
+MD5 c46f2d2327580374f93ea82eb1d7d889 files/digest-ghemical-2.01 244
+RMD160 8cb543e747df849d2138a4c62f80440731ef7276 files/digest-ghemical-2.01 244
+SHA256 c6332da3268b8bab8c0b7d8b1aaec57dc504142d15ed6e883ae25edc8f994191 files/digest-ghemical-2.01 244
diff --git a/sci-chemistry/mpqc/ChangeLog b/sci-chemistry/mpqc/ChangeLog
index b8facb8814e5..96251aa2a67f 100644
--- a/sci-chemistry/mpqc/ChangeLog
+++ b/sci-chemistry/mpqc/ChangeLog
@@ -1,6 +1,15 @@
 # ChangeLog for sci-chemistry/mpqc
 # Copyright 2002-2006 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mpqc/ChangeLog,v 1.10 2006/04/11 16:43:40 markusle Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mpqc/ChangeLog,v 1.11 2006/05/13 22:21:12 spyderous Exp $
+
+*mpqc-2.3.1-r1 (13 May 2006)
+
+  13 May 2006; Donnie Berkholz <spyderous@gentoo.org>;
+  +mpqc-2.3.1-r1.ebuild:
+  Always build shared libraries, so other programs can link against them
+  without mixing PIC and non-PIC code. That breaks architectures including
+  ppc, ppc64, amd64. Do some general ebuild cleanup, and add an RDEPEND so not
+  all the build-time tools are required at runtime.
 
 *mpqc-2.3.1 (11 Apr 2006)
 
diff --git a/sci-chemistry/mpqc/Manifest b/sci-chemistry/mpqc/Manifest
index 048f9f7c42e6..1e8bb0869ecb 100644
--- a/sci-chemistry/mpqc/Manifest
+++ b/sci-chemistry/mpqc/Manifest
@@ -1,30 +1,49 @@
-MD5 a658ab8c4f4d1333e312afb516fec4e7 ChangeLog 3159
-RMD160 6e01f6cec48ce2e4fc99b78bbbec237d7bfe605f ChangeLog 3159
-SHA256 e77b63f163936a2020e6651982fab07288b8944ad6706b5ab0c42ee36afb9904 ChangeLog 3159
-MD5 ef8f7cc3214e84dfd6bec6d38eacb3a6 files/digest-mpqc-2.2.2 129
-RMD160 c64d3d28a7e28dca50d6dfec3896da2c9f7eb465 files/digest-mpqc-2.2.2 129
-SHA256 6e476007b6bb43d49a3b6ea3faa9966c5993db1a6533a3c4fa76fbb0d000ac71 files/digest-mpqc-2.2.2 129
-MD5 4a8b0c0ea1bc3bafc4302eceff353d0f files/digest-mpqc-2.2.3 131
-RMD160 30931d6bfdd3313f4bbdccdfe1c2eba11a387caf files/digest-mpqc-2.2.3 131
-SHA256 1fead6a0addeb7ea4b67a05dddbb250b76920e612b8db2661fee602f350169a1 files/digest-mpqc-2.2.3 131
-MD5 cdcd9f41ec0e4f8816b9fddf98827723 files/digest-mpqc-2.3.0 64
-RMD160 4ae35f6b7d267a399942757299fef1251094512f files/digest-mpqc-2.3.0 64
-SHA256 621bc9e20c5f2ca9601825d7bb3b6b30498d48b0cc1e6a9493fcd09eade5464c files/digest-mpqc-2.3.0 64
-MD5 308a10c7d0f2c609fbafa25cb03f2f62 files/digest-mpqc-2.3.1 238
-RMD160 4f8ed18eb9b659a3386cb8b5ecd1ddb1f72f30c4 files/digest-mpqc-2.3.1 238
-SHA256 21328cecb0ff0026bef67d043d7af01dce3c9fb60024ce7dac77f8a485672b1a files/digest-mpqc-2.3.1 238
-MD5 df166a2ae1cb64196abc394d4fa522ed metadata.xml 272
-RMD160 42331a21c1e7a31cfe105f705fe3073de14b6b14 metadata.xml 272
-SHA256 36ae23839abbf283daf51b7f9585af067c0504484f5ca61e2f08113912becb77 metadata.xml 272
+DIST mpqc-2.2.2.tar.gz 2061755 size 2061755
+DIST mpqc-2.2.3.tar.bz2 1615558 size 1615558
+DIST mpqc-2.3.0.tar.bz2 2446415 size 2446415
+DIST mpqc-2.3.1.tar.bz2 2521392 RMD160 0e3b395e9ed663b9c3de120fb4f5a00bc40c7e0f SHA256 18f162ca9cb8b3b05372b0ec3d02b4b8a4a7aabfc7b2abead350ddef8f048ecc size 2521392
+DIST mpqc-man-2.2.2.tar.gz 166450 size 166450
+DIST mpqc-man-2.2.3.tar.bz2 105008 size 105008
+EBUILD mpqc-2.2.2.ebuild 1294 RMD160 abf325475760fad9fac0e2aef64e52f2f4faeb60 SHA1 15134400a71ae118380326fd510f0204e8aeaba7 SHA256 90cd6f7e6df8aa2204f18ca563463064bf02efda469b9587ac06e596ed99c4d6 size 1294
 MD5 bd8e916713f20fe3e5a841e472dc873f mpqc-2.2.2.ebuild 1294
 RMD160 abf325475760fad9fac0e2aef64e52f2f4faeb60 mpqc-2.2.2.ebuild 1294
 SHA256 90cd6f7e6df8aa2204f18ca563463064bf02efda469b9587ac06e596ed99c4d6 mpqc-2.2.2.ebuild 1294
+EBUILD mpqc-2.2.3.ebuild 1348 RMD160 5bcdaafc727f0aff8c289c60db3ef376d8269005 SHA1 f088dd1a4c46a9d54114e5f47340d1e4e8442dbe SHA256 ca55f5ca40b89b8cf6af8f9fe12dc8ab1f59248923a6145e180a7f26273e7d18 size 1348
 MD5 74e769a88bd40b6804281ca25e1c0dce mpqc-2.2.3.ebuild 1348
 RMD160 5bcdaafc727f0aff8c289c60db3ef376d8269005 mpqc-2.2.3.ebuild 1348
 SHA256 ca55f5ca40b89b8cf6af8f9fe12dc8ab1f59248923a6145e180a7f26273e7d18 mpqc-2.2.3.ebuild 1348
+EBUILD mpqc-2.3.0.ebuild 2537 RMD160 be84f7fa23f5e41bd92985fb5f901da6a4d7c66d SHA1 f038b82b7142435b70a5d1a8bdaeefb8c310f779 SHA256 5d9f5d83e1433c2f41225aa1d068d7cc89f4d3fccc0706022fb397db7598bdcf size 2537
 MD5 a3d3bee5554b32ad7b972656eede5f44 mpqc-2.3.0.ebuild 2537
 RMD160 be84f7fa23f5e41bd92985fb5f901da6a4d7c66d mpqc-2.3.0.ebuild 2537
 SHA256 5d9f5d83e1433c2f41225aa1d068d7cc89f4d3fccc0706022fb397db7598bdcf mpqc-2.3.0.ebuild 2537
+EBUILD mpqc-2.3.1-r1.ebuild 2517 RMD160 42c13306c1927ec26805381194332cd7f2c6c4d9 SHA1 88aa81a21d5d62e143976c92eb8db7d448128bf4 SHA256 a1e9988b17c3a11e342be1f258788d86e62c5e4f05c443130a6bbc1e139ecb28 size 2517
+MD5 10d2a81ec6c8956093cb7df2240ffc47 mpqc-2.3.1-r1.ebuild 2517
+RMD160 42c13306c1927ec26805381194332cd7f2c6c4d9 mpqc-2.3.1-r1.ebuild 2517
+SHA256 a1e9988b17c3a11e342be1f258788d86e62c5e4f05c443130a6bbc1e139ecb28 mpqc-2.3.1-r1.ebuild 2517
+EBUILD mpqc-2.3.1.ebuild 2537 RMD160 8b15e72249c9d092eb206642471a5f6aa8342d17 SHA1 3f380f091dab76754e81f4ce77f177d5c3a2ed96 SHA256 1ba97178a887ff4ae5760952c1c0a036f93bbbddf8539021c38e1a677b99aeae size 2537
 MD5 55d0e27d8fbe05405c653c79b103c149 mpqc-2.3.1.ebuild 2537
 RMD160 8b15e72249c9d092eb206642471a5f6aa8342d17 mpqc-2.3.1.ebuild 2537
 SHA256 1ba97178a887ff4ae5760952c1c0a036f93bbbddf8539021c38e1a677b99aeae mpqc-2.3.1.ebuild 2537
+MISC ChangeLog 3550 RMD160 48d2019a0c9d95fe996d3a8e455b45fd8048ddfe SHA1 5fe072b587ec77ba1bbfae563276860b4d82629f SHA256 f02ba60e4ebf41742f432508784fda537501f73357ef5962e9aa2dc30e467068 size 3550
+MD5 b9f43b0c0036a4dbf57ce940214b3f70 ChangeLog 3550
+RMD160 48d2019a0c9d95fe996d3a8e455b45fd8048ddfe ChangeLog 3550
+SHA256 f02ba60e4ebf41742f432508784fda537501f73357ef5962e9aa2dc30e467068 ChangeLog 3550
+MISC metadata.xml 272 RMD160 42331a21c1e7a31cfe105f705fe3073de14b6b14 SHA1 960809f50e770bf2df44dda2557cf62ab9190c13 SHA256 36ae23839abbf283daf51b7f9585af067c0504484f5ca61e2f08113912becb77 size 272
+MD5 df166a2ae1cb64196abc394d4fa522ed metadata.xml 272
+RMD160 42331a21c1e7a31cfe105f705fe3073de14b6b14 metadata.xml 272
+SHA256 36ae23839abbf283daf51b7f9585af067c0504484f5ca61e2f08113912becb77 metadata.xml 272
+MD5 ef8f7cc3214e84dfd6bec6d38eacb3a6 files/digest-mpqc-2.2.2 129
+RMD160 c64d3d28a7e28dca50d6dfec3896da2c9f7eb465 files/digest-mpqc-2.2.2 129
+SHA256 6e476007b6bb43d49a3b6ea3faa9966c5993db1a6533a3c4fa76fbb0d000ac71 files/digest-mpqc-2.2.2 129
+MD5 4a8b0c0ea1bc3bafc4302eceff353d0f files/digest-mpqc-2.2.3 131
+RMD160 30931d6bfdd3313f4bbdccdfe1c2eba11a387caf files/digest-mpqc-2.2.3 131
+SHA256 1fead6a0addeb7ea4b67a05dddbb250b76920e612b8db2661fee602f350169a1 files/digest-mpqc-2.2.3 131
+MD5 cdcd9f41ec0e4f8816b9fddf98827723 files/digest-mpqc-2.3.0 64
+RMD160 4ae35f6b7d267a399942757299fef1251094512f files/digest-mpqc-2.3.0 64
+SHA256 621bc9e20c5f2ca9601825d7bb3b6b30498d48b0cc1e6a9493fcd09eade5464c files/digest-mpqc-2.3.0 64
+MD5 308a10c7d0f2c609fbafa25cb03f2f62 files/digest-mpqc-2.3.1 238
+RMD160 4f8ed18eb9b659a3386cb8b5ecd1ddb1f72f30c4 files/digest-mpqc-2.3.1 238
+SHA256 21328cecb0ff0026bef67d043d7af01dce3c9fb60024ce7dac77f8a485672b1a files/digest-mpqc-2.3.1 238
+MD5 308a10c7d0f2c609fbafa25cb03f2f62 files/digest-mpqc-2.3.1-r1 238
+RMD160 4f8ed18eb9b659a3386cb8b5ecd1ddb1f72f30c4 files/digest-mpqc-2.3.1-r1 238
+SHA256 21328cecb0ff0026bef67d043d7af01dce3c9fb60024ce7dac77f8a485672b1a files/digest-mpqc-2.3.1-r1 238
diff --git a/sci-chemistry/mpqc/files/digest-mpqc-2.3.1-r1 b/sci-chemistry/mpqc/files/digest-mpqc-2.3.1-r1
new file mode 100644
index 000000000000..976f0297cdc7
--- /dev/null
+++ b/sci-chemistry/mpqc/files/digest-mpqc-2.3.1-r1
@@ -0,0 +1,3 @@
+MD5 2f9b4f7487387730d78066a53764f848 mpqc-2.3.1.tar.bz2 2521392
+RMD160 0e3b395e9ed663b9c3de120fb4f5a00bc40c7e0f mpqc-2.3.1.tar.bz2 2521392
+SHA256 18f162ca9cb8b3b05372b0ec3d02b4b8a4a7aabfc7b2abead350ddef8f048ecc mpqc-2.3.1.tar.bz2 2521392
diff --git a/sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild b/sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild
new file mode 100644
index 000000000000..f6e9d5c83322
--- /dev/null
+++ b/sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild
@@ -0,0 +1,102 @@
+# Copyright 1999-2006 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild,v 1.1 2006/05/13 22:21:12 spyderous Exp $
+
+inherit fortran
+
+DESCRIPTION="The Massively Parallel Quantum Chemistry Program"
+HOMEPAGE="http://www.mpqc.org/"
+SRC_URI="mirror://sourceforge/mpqc/${P}.tar.bz2"
+
+LICENSE="GPL-2"
+SLOT="0"
+# Should work on x86, amd64 and ppc, at least
+KEYWORDS="~amd64 ~ppc ~ppc64 ~x86"
+IUSE="doc threads tcltk"
+
+RDEPEND="virtual/blas
+	virtual/lapack
+	tcltk? ( dev-lang/tk )"
+DEPEND="${RDEPEND}
+	sys-devel/flex
+	dev-lang/perl
+	>=sys-apps/sed-4
+	doc? ( app-doc/doxygen
+		media-gfx/graphviz )"
+
+src_unpack() {
+	unpack ${A}
+	cd "${S}"
+
+	# do not install tkmolrender if not requested
+	if ! use tcltk; then
+		sed -e "s:.*/bin/molrender/tkmolrender.*::" \
+			-e "s:.*\$(INSTALLBINOPT) tkmolrender.*::" \
+			-e "s:/bin/rm -f tkmolrender::" \
+			-i "./src/bin/molrender/Makefile" \
+			|| die "failed to disable tkmolrender"
+	fi
+}
+
+
+src_compile() {
+#	CFLAGS_SAVE=${CFLAGS}; CXXFLAGS_SAVE=${CXXFLAGS}
+
+	# Only shared will work on ppc64 - bug #62124
+	# But we always want shared libraries
+	econf \
+		$(use_enable threads) \
+		--enable-shared \
+		${myconf} || die "configure failed"
+
+	sed -i -e "s:^CFLAGS =.*$:CFLAGS=${CFLAGS}:" \
+		-e "s:^FFLAGS =.*$:FFLAGS=${FFLAGS:- -O2}:" \
+		-e "s:^CXXFLAGS =.*$:CXXFLAGS=${CXXFLAGS}:" \
+		lib/LocalMakefile
+	emake || die "emake failed"
+}
+
+
+src_test() {
+	cd "${S}"/src/bin/mpqc/validate
+
+	# we'll only run the small test set, since the
+	# medium and large ones take >10h and >24h on my
+	# 1.8Ghz P4M
+	make check0 || die "failed in test routines"
+}
+
+
+
+src_install() {
+	make installroot="${D}" install install_devel install_inc \
+		|| die "install failed"
+
+	dodoc CHANGES CITATION README || die "failed to install docs"
+
+	# make extended docs 
+	if use doc; then
+		cd "${S}"/doc
+		make all || die "failed to generate documentation"
+		doman man/man1/* && doman man/man3/* || \
+			die "failed to install man pages"
+		dohtml -r html/
+	fi
+}
+
+pkg_postinst() {
+	echo
+	einfo "MPQC can be picky with regard to compilation flags."
+	einfo "If during mpqc runs you have trouble converging or "
+	einfo "experience oscillations during SCF interations, "
+	einfo "consider recompiling with less aggressive CFLAGS/CXXFLAGS."
+	einfo "Particularly, replacing -march=pentium4 by -march=pentium3"
+	einfo "might help if you encounter problems with correlation "
+	einfo "consistent basis sets."
+	echo
+}
+
+
+
+
+