(#132835) Bump to latest release. Ebuild based on work of Donald E. Curtis. Patch to fix blas/lapack detection by me.

Package-Manager: portage-2.1_pre10-r5

4 files changed, 81 insertions, 4 deletions

diff --git a/sci-libs/libghemical/Manifest b/sci-libs/libghemical/Manifest
index 1b8be254233f..9ca82f55839b 100644
--- a/sci-libs/libghemical/Manifest
+++ b/sci-libs/libghemical/Manifest
@@ -1,5 +1,10 @@
+AUX 2.00-really-find-blas-and-lapack.patch 1317 RMD160 017aaba010e92b83d688caef67ee5413a665b173 SHA1 1e39f1a18bfa691c4429b679f77bcd8bbdd0871e SHA256 4d16fc804523fa24f0eb3fcbe33f3535d0265b6cc858f6291b5304806556d4ff size 1317
+MD5 f64c8ec012f06c0993dd671055d440bd files/2.00-really-find-blas-and-lapack.patch 1317
+RMD160 017aaba010e92b83d688caef67ee5413a665b173 files/2.00-really-find-blas-and-lapack.patch 1317
+SHA256 4d16fc804523fa24f0eb3fcbe33f3535d0265b6cc858f6291b5304806556d4ff files/2.00-really-find-blas-and-lapack.patch 1317
 DIST libghemical-1.90.tgz 636435 size 636435
 DIST libghemical-1.91.tgz 1087881 size 1087881
+DIST libghemical-2.00.tar.gz 629479 RMD160 8c49ce3f128ef937dfb4443e4ffebff0b9183a1d SHA256 e873b3042df75fa1c9f37fc99f2ff14227965ed13c7680169f714ab6575d5f21 size 629479
 EBUILD libghemical-1.90.ebuild 1239 RMD160 85b6425c1d6f093017e8bb8dea90c7d0e4d29455 SHA1 66cb50148745935feb03abe23772edee3c915057 SHA256 933945b3cb75e563f9536610877a254039cf30861909c363b67499492dffe206 size 1239
 MD5 659e57f1b3424f348b2bb04d61779659 libghemical-1.90.ebuild 1239
 RMD160 85b6425c1d6f093017e8bb8dea90c7d0e4d29455 libghemical-1.90.ebuild 1239
@@ -8,10 +13,14 @@ EBUILD libghemical-1.91.ebuild 1295 RMD160 6e3bf48d09c0df64e57822ba5dc275cc385b3
 MD5 a5918904d2279c88ffd6767ae9bd6e1f libghemical-1.91.ebuild 1295
 RMD160 6e3bf48d09c0df64e57822ba5dc275cc385b3e56 libghemical-1.91.ebuild 1295
 SHA256 f5fc437775df6647b81451ca47ee96c1b8a887d2dae9aae3c935a5b8e28e88f3 libghemical-1.91.ebuild 1295
-MISC ChangeLog 1200 RMD160 af477815f82b1bc2997e1c0e1a6bc2972a6c7941 SHA1 67d16be29e2712ec3051c52658fa6b45732c532a SHA256 66ebb9f2e9b9385b4f710d9aad7e9d701c4c1a2e970443cfed21ac15f6af5345 size 1200
-MD5 397e9af8b8dc94c2f1a5a92e981818a3 ChangeLog 1200
-RMD160 af477815f82b1bc2997e1c0e1a6bc2972a6c7941 ChangeLog 1200
-SHA256 66ebb9f2e9b9385b4f710d9aad7e9d701c4c1a2e970443cfed21ac15f6af5345 ChangeLog 1200
+EBUILD libghemical-2.00.ebuild 1283 RMD160 52e0cdcc835231b379f5b2290567e2b777083db5 SHA1 be8c6865079d51b67789b52c424b476b8523efd6 SHA256 4b853f5d14b7d1a7e1b65113b77f13f2f03626566e66eabaf4783d8a282a9f90 size 1283
+MD5 a743a94b44e2142efa8afb1ba195803e libghemical-2.00.ebuild 1283
+RMD160 52e0cdcc835231b379f5b2290567e2b777083db5 libghemical-2.00.ebuild 1283
+SHA256 4b853f5d14b7d1a7e1b65113b77f13f2f03626566e66eabaf4783d8a282a9f90 libghemical-2.00.ebuild 1283
+MISC ChangeLog 1486 RMD160 f4cb66192b1a42f65a1220ccef8fb7c6d6874c31 SHA1 cf06edf27f0b2946b1b56884145a66ce08c1159c SHA256 792d0c4484aef0835aac796b60f5472c7a41291a7963780657e9c22af4cfc863 size 1486
+MD5 644201ae567354547d622dd3e9fda74f ChangeLog 1486
+RMD160 f4cb66192b1a42f65a1220ccef8fb7c6d6874c31 ChangeLog 1486
+SHA256 792d0c4484aef0835aac796b60f5472c7a41291a7963780657e9c22af4cfc863 ChangeLog 1486
 MISC metadata.xml 156 RMD160 dc078172bfebcb25d69bdf8731714f9cce9d3e36 SHA1 da2b240a255820145b7c83a5c48e45b96b7e9ee6 SHA256 5d22100902db7507a5b5493dd4a66cdb08025faf80a2c0b75e6392315c47f900 size 156
 MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156
 RMD160 dc078172bfebcb25d69bdf8731714f9cce9d3e36 metadata.xml 156
@@ -22,3 +31,6 @@ SHA256 be30621c20a0bba5d077a0665256984e4d1dfe3ac0f206091c9fb84fa88b18ef files/di
 MD5 24cb392d27e0cac4b58dffc8840593b2 files/digest-libghemical-1.91 66
 RMD160 a2da69f14d714d3cf3c0d8bcc9e616f579c93405 files/digest-libghemical-1.91 66
 SHA256 f565449c2ceb3755de7a97325a710d23512ddc923d643578e5b618dfdc2b1d2d files/digest-libghemical-1.91 66
+MD5 7f87b48888976c4f8a36e51086d510d0 files/digest-libghemical-2.00 250
+RMD160 99e1628f557e0a02ffe74cb785c39b923bd5ac79 files/digest-libghemical-2.00 250
+SHA256 7008fb2104b8b7d02bdc3ff751ec150f920aa8d35e4784a7345d61a9456d5379 files/digest-libghemical-2.00 250
diff --git a/sci-libs/libghemical/files/2.00-really-find-blas-and-lapack.patch b/sci-libs/libghemical/files/2.00-really-find-blas-and-lapack.patch
new file mode 100644
index 000000000000..bef730abbe4c
--- /dev/null
+++ b/sci-libs/libghemical/files/2.00-really-find-blas-and-lapack.patch
@@ -0,0 +1,24 @@
+diff -urN libghemical-2.00.orig/configure.ac libghemical-2.00/configure.ac
+--- libghemical-2.00.orig/configure.ac	2006-05-12 23:31:06.000000000 -0700
++++ libghemical-2.00/configure.ac	2006-05-12 23:54:20.000000000 -0700
+@@ -69,8 +69,18 @@
+ AC_CHECK_LIB([m], [acos])
+ 
+ if test $WITH_MPQC = yes; then
+-	AC_CHECK_LIB([blas], [main], , AC_MSG_ERROR([Cannot find blas library needed for MPQC support]))
+-	AC_CHECK_LIB([lapack], [main], , AC_MSG_ERROR([Cannot find lapack library needed for MPQC support]))
++	AC_CHECK_LIB([blas], [dgemm_], HAVE_BLAS="yes", , -lpthread)
++	AC_CHECK_LIB([blas], [dgemm], HAVE_BLAS="yes", , -lpthread)
++	AC_CHECK_LIB([blas], [dgemm__], HAVE_BLAS="yes", , -lpthread)
++	if test "x${HAVE_BLAS}" = "x"; then
++		AC_MSG_ERROR([Cannot find blas library needed for MPQC support])
++	fi
++	AC_CHECK_LIB([lapack], [cheev_], HAVE_LAPACK="yes", , -lpthread)
++	AC_CHECK_LIB([lapack], [cheev], HAVE_LAPACK="yes", , -lpthread)
++	AC_CHECK_LIB([lapack], [cheev__], HAVE_LAPACK="yes", , -lpthread)
++	if test "x${HAVE_LAPACK}" = "x"; then
++		AC_MSG_ERROR([Cannot find lapack library needed for MPQC support])
++	fi
+ 	AM_PATH_SC(1.2.5, HAVE_MPQC="yes", HAVE_MPQC="no")
+ 	if test "${HAVE_MPQC}" = "yes"; then
+ 		AC_DEFINE([ENABLE_MPQC], [], [Define if you are building a version that interfaces directly with MPQC])
diff --git a/sci-libs/libghemical/files/digest-libghemical-2.00 b/sci-libs/libghemical/files/digest-libghemical-2.00
new file mode 100644
index 000000000000..ae7c83b5d7a0
--- /dev/null
+++ b/sci-libs/libghemical/files/digest-libghemical-2.00
@@ -0,0 +1,3 @@
+MD5 19ee087b6f3c0ce816ed1722b4a5b002 libghemical-2.00.tar.gz 629479
+RMD160 8c49ce3f128ef937dfb4443e4ffebff0b9183a1d libghemical-2.00.tar.gz 629479
+SHA256 e873b3042df75fa1c9f37fc99f2ff14227965ed13c7680169f714ab6575d5f21 libghemical-2.00.tar.gz 629479
diff --git a/sci-libs/libghemical/libghemical-2.00.ebuild b/sci-libs/libghemical/libghemical-2.00.ebuild
new file mode 100644
index 000000000000..b196a32cb4e1
--- /dev/null
+++ b/sci-libs/libghemical/libghemical-2.00.ebuild
@@ -0,0 +1,38 @@
+# Copyright 1999-2006 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-libs/libghemical/libghemical-2.00.ebuild,v 1.1 2006/05/13 22:22:12 spyderous Exp $
+
+inherit autotools eutils
+
+DESCRIPTION="Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available."
+HOMEPAGE="http://bioinformatics.org/ghemical/"
+SRC_URI="http://www.bioinformatics.org/ghemical/download/${P}.tar.gz"
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~ppc ~x86"
+IUSE="mopac7 mpqc"
+RDEPEND="mopac7? ( sci-chemistry/mopac7 )
+		mpqc? ( >=sci-chemistry/mpqc-2.3.1-r1
+			virtual/blas
+			virtual/lapack )"
+DEPEND="${RDEPEND}
+	>=dev-util/pkgconfig-0.15"
+
+src_unpack() {
+	unpack ${A}
+	epatch ${FILESDIR}/${PV}-really-find-blas-and-lapack.patch
+	cd "${S}"
+	eautoreconf
+}
+
+src_compile() {
+	econf \
+		$(use_enable mopac7) \
+		$(use_enable mpqc) \
+		|| die "configure failed"
+	emake || die "make failed"
+}
+
+src_install() {
+	make DESTDIR="${D}" install || die "install failed"
+}