Re-added accidentally removed stable version.

Package-Manager: portage-2.1.5_rc7
RepoMan-Options: --force

3 files changed, 222 insertions, 2 deletions

diff --git a/sci-chemistry/gamess/ChangeLog b/sci-chemistry/gamess/ChangeLog
index fbb8d00708b4..5d4ceb1957fb 100644
--- a/sci-chemistry/gamess/ChangeLog
+++ b/sci-chemistry/gamess/ChangeLog
@@ -1,6 +1,10 @@
 # ChangeLog for sci-chemistry/gamess
 # Copyright 1999-2008 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.25 2008/05/08 17:42:47 markusle Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.26 2008/05/10 10:53:29 markusle Exp $
+
+  10 May 2008; Markus Dittrich <markusle@gentoo.org>
+  +gamess-20070324.1.ebuild:
+  Re-added accidentally removed stable version.
 
 *gamess-20080411.1 (08 May 2008)
 
diff --git a/sci-chemistry/gamess/Manifest b/sci-chemistry/gamess/Manifest
index c91dffe4e045..cd59e25dd8d4 100644
--- a/sci-chemistry/gamess/Manifest
+++ b/sci-chemistry/gamess/Manifest
@@ -1,10 +1,12 @@
 AUX gamess-20070324.3.gentoo.patch 11196 RMD160 37700e020500f9295aaf6223ae412eb33c0eb2f7 SHA1 4d2c37790d6fa0bd06097f6be2b6efeb005903bc SHA256 42b27d2a9f94c902421d2ac11f87484898f1f3f1c6e31fcbce19bc3978138144
 AUX gamess-20080411.1.gentoo.patch 23835 RMD160 bb13fff2af162548c25981baf082b68e758c7adc SHA1 1f38da29a9362024290654b744e34150ccf55ba5 SHA256 c0f79780945425d6efa5aaab9259cf86cd3adcd2afd3d8aac50a746dcef44554
+DIST gamess-20070324.1.tar.gz 8095867 RMD160 9634a996ee026197658103fd650d453d796708db SHA1 7a6fc6ced7565337a1b77189df7446d1c84b61dd SHA256 b8e3a5d82d19a8adf1508c8fbea01a125ab4f01471f321f66b9d3c53511c9412
 DIST gamess-20070324.3.tar.gz 8219816 RMD160 e9a3ad26a520072322006d7f429ad5172a6248cb SHA1 ab4590fd73e93b06fa122768721650789e50533d SHA256 c9650cca2c2f7b5973636d4d49f907fc5f975f430b0f78dd7d2ee2d83109900d
 DIST gamess-20070324.6.tar.gz 8452642 RMD160 b7f850db6d816f9011b646b31bc1c4a8b07983bc SHA1 19ea60d555ea10687e8fc43f9734b3fef5d646e3 SHA256 3c47012c17c544f6c6fe35526232e3d2b4aa61a4c22b7a944fcb72cad3295ae5
 DIST gamess-20080411.1.tar.gz 10301653 RMD160 9742a676cc2da693fff78594cdc0edf0f380a2de SHA1 8e0e01b255ebad8e2fd9b2012248648a11212b5c SHA256 493a99448afc6de15b6f054b702c6e67646e020cfee551aca0ef48a374fc6d05
+EBUILD gamess-20070324.1.ebuild 6368 RMD160 5c337a92325c7641f28babaa5be9229fa55dc9c5 SHA1 deeb9fb81941375b1e403bf3bf5650e2e57fb601 SHA256 f9c08ab8324dc3f616562552e63bc3e83d990f1f1f3dabf8d992a1d4b9381882
 EBUILD gamess-20070324.3.ebuild 6459 RMD160 a6872a0747deb7a82b0b35b88598fad126a7f6fc SHA1 abda8c7356b2d38ebce211fcf4a2b039651ea864 SHA256 577a4f3ba557f1691396216350078e4d4ea07e2804e422119dd0020fabe05046
 EBUILD gamess-20070324.6.ebuild 6471 RMD160 630a8aa4671b03ffe511035b7dace79cc96440d0 SHA1 e087a04cff6ad126cb510217f3618ee0638ad47f SHA256 fbea4638597f0585110c0f8c015464cf152b6671d199220b3dd04e7685ba1e65
 EBUILD gamess-20080411.1.ebuild 6459 RMD160 78a7cf9099968c576abc7f9845aa06db0a0150dc SHA1 1b20b51d04eb0a99cba4d9e9755f89dc96ec0ec9 SHA256 bf3fe8bf4cad48bd8629863036e2bf0984ab221a6ca7db5d3e91fdbd5e1a5ead
-MISC ChangeLog 6162 RMD160 0c91b8f1b3ba337bb07a4f75ebec84b1ccda8ac9 SHA1 a9c9deeebe0eddc87cb012d32740e0083fa9d1b2 SHA256 806f678b8e42d6eeafcd746b72ff86f69dccd7d9e48f73b87883bd18e6b0e0a4
+MISC ChangeLog 6293 RMD160 a46715660eb2cef503bef3adc34d7f65ce95d72d SHA1 fbf110a9b70c8714e5bdc75f116c00e23c1bafe6 SHA256 f153758331e40123c0f75cb36343c1a8a800df3014ccf3a91c273551b0057c91
 MISC metadata.xml 264 RMD160 f2d7d7c401f209aec88c85770c5d1fc73ee66c89 SHA1 90b72142265c0cf5b2e2c37f6d14209fc12de279 SHA256 a6dba0fee2e8489ae831c04e7240ee646ac65c2333485a3ae46da9ed000c4d9f
diff --git a/sci-chemistry/gamess/gamess-20070324.1.ebuild b/sci-chemistry/gamess/gamess-20070324.1.ebuild
new file mode 100644
index 000000000000..0cf7ddedefc3
--- /dev/null
+++ b/sci-chemistry/gamess/gamess-20070324.1.ebuild
@@ -0,0 +1,214 @@
+# Copyright 1999-2008 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20070324.1.ebuild,v 1.8 2008/05/10 10:53:29 markusle Exp $
+
+inherit eutils toolchain-funcs fortran flag-o-matic
+
+DESCRIPTION="A powerful quantum chemistry package"
+LICENSE="gamess"
+HOMEPAGE="http://www.msg.ameslab.gov/GAMESS/GAMESS.html"
+SRC_URI="${P}.tar.gz"
+
+SLOT="0"
+KEYWORDS="~ppc x86"
+IUSE="hardened blas"
+
+RESTRICT="fetch"
+
+DEPEND="app-shells/tcsh
+	hardened? ( sys-apps/paxctl )
+	blas? ( virtual/blas )"
+
+RDEPEND="${DEPEND}
+	net-misc/openssh"
+
+S="${WORKDIR}/${PN}"
+
+GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html"
+GAMESS_VERSION="24 MAR 2007 (R1)"
+FORTRAN="ifc g77 gfortran"
+
+pkg_nofetch() {
+	echo
+	einfo "Please download ${PN}-current.tar.gz from"
+	einfo "${GAMESS_DOWNLOAD}."
+	einfo "Be sure to select the version ${GAMESS_VERSION} tarball!!"
+	einfo "Then move the tarball to"
+	einfo "${DISTDIR}/${P}.tar.gz"
+	echo
+}
+
+pkg_setup() {
+	fortran_pkg_setup
+
+	# blas and ifc don't go together
+	if use blas && [[ "${FORTRANC}" = "ifc" ]]; then
+		echo
+		ewarn "${PN} can not be compiled with USE=blas and ifc."
+		ewarn "Linking against GAMESS' internal blas instead."
+		echo
+	fi
+}
+
+src_unpack() {
+	unpack ${A}
+
+	# apply LINUX-arch patches to gamess makesfiles
+	epatch "${FILESDIR}"/${P}.gentoo.patch
+
+	# for hardened-gcc let't turn off ssp, since it breakes
+	# a few routines
+	cd "${S}"
+	if use hardened && [[ "${FORTRANC}" = "g77" ]]; then
+		FFLAGS="${FFLAGS} -fno-stack-protector-all"
+	fi
+
+	# enable NEO
+	sed -e "s:NEO=false:NEO=true:" -i compall lked || \
+		die "Failed to enable NEO code"
+
+	# greate proper activate sourcefile
+	cp "./tools/actvte.code" "./tools/actvte.f" || \
+		die || "Failed to create actvte.f"
+	sed -e "s/^\*UNX/    /" -i "./tools/actvte.f" || \
+		die || "Failed to perform UNX substitutions in actvte.f"
+
+	# fix GAMESS' compall script to use proper CC
+	sed -e "s|\$CCOMP -c \$extraflags source/zunix.c|$(tc-getCC) -c \$extraflags source/zunix.c|" \
+		-i compall || die "Failed setting up compall script"
+
+	# insert proper FFLAGS into GAMESS' comp makefile
+	# in case we're using ifc let's strip all the gcc
+	# specific stuff
+	if [[ "${FORTRANC}" == "ifc" ]]; then
+		sed -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS} -quiet'/" \
+			-e "s/gentoo-g77/${FORTRANC}/" \
+			-i comp || die "Failed setting up comp script"
+	elif ! use x86; then
+		sed -e "s/-malign-double //" \
+			-e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS}'/" \
+			-e "s/gentoo-g77/${FORTRANC}/" \
+			-i comp || die "Failed setting up comp script"
+	else
+		sed -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS}'/" \
+			-e "s/gentoo-g77/${FORTRANC}/" \
+			-i comp || die "Failed setting up comp script"
+	fi
+
+	# use proper blas
+	if ! use blas || [[ "${FORTRANC}" = "ifc" ]]; then
+		sed -e "s|/usr/lib/libblas.a|/usr/lib/dontuselibblas.a|" \
+			-i lked || die "Failed to adjust blas in lked"
+	fi
+
+	# fix up GAMESS' linker script;
+	sed -e "s/gentoo-g77/${FORTRANC}/" \
+		-e "s/gentoo-LDOPTS=' '/LDOPTS='${LDFLAGS}'/" \
+		-i lked || die "Failed setting up lked script"
+
+	# fix up GAMESS' ddi TCP/IP socket build
+	sed -e "s/gentoo-CC = 'gcc'/CC = '$(tc-getCC)'/" \
+		-e "s/gentoo-g77/${FORTRANC}/" \
+		-i ddi/compddi || die "Failed setting up compddi script"
+
+	# fix up the checker scripts for gamess tests
+	sed -e "s:set GMSPATH:#set GMSPATH:g" \
+		-e "s:\$GMSPATH/tools/checktst:.:g" \
+		-i tools/checktst/checktst
+}
+
+src_compile() {
+	# build actvte
+	cd "${S}"/tools
+	"${FORTRANC}" -o actvte.x actvte.f || \
+		die "Failed to compile actvte.x"
+
+	# for hardened (PAX) users and ifc we need to turn
+	# MPROTECT off
+	if [[ "${FORTRANC}" == "ifc" ]] && use hardened; then
+		/sbin/paxctl -PemRxS actvte.x 2> /dev/null || \
+			die "paxctl failed on actvte.x"
+	fi
+
+	# build gamess
+	cd "${S}"
+	./compall || die "compall failed"
+
+	# build the ddi TCP/IP socket stuff
+	cd ${S}/"ddi"
+	./compddi || die "compddi failed"
+
+	# finally, link it all together
+	cd "${S}"
+	./lked || die "lked failed"
+
+	# for hardened (PAX) users and ifc we need to turn
+	# MPROTECT off
+	if [[ "${FORTRANC}" == "ifc" ]] && use hardened; then
+		/sbin/paxctl -PemRxS ${PN}.00.x 2> /dev/null || \
+			die "paxctl failed on actvte.x"
+	fi
+}
+
+src_install() {
+	# the executables
+	dobin ${PN}.00.x ddi/ddikick.x rungms \
+		|| die "Failed installing binaries"
+
+	# the docs
+	dodoc *.DOC qmnuc/*.DOC || die "Failed installing docs"
+
+	# install ericftm
+	insinto /usr/share/${PN}/ericfmt
+	doins ericfmt.dat || die "Failed installing ericfmt.dat"
+
+	# install mcpdata
+	insinto /usr/share/${PN}/mcpdata
+	doins mcpdata/* || die "Failed installing mcpdata"
+
+	# install the tests the user should run, and
+	# fix up the runscript; also grab a copy of rungms
+	# so the user is ready to run the tests
+	insinto /usr/share/${PN}/tests
+	insopts -m0644
+	doins tests/* || die "Failed installing tests"
+	insopts -m0744
+	doins runall || die "Failed installing tests"
+	doins tools/checktst/checktst tools/checktst/chkabs || \
+		die "Failed to install main test checker"
+	doins tools/checktst/exam* || \
+		die "Failed to install individual test files"
+
+	insinto /usr/share/${PN}/neotests
+	insopts -m0644
+	doins -r qmnuc/neotests/* || die "Failed to install NEO tests"
+}
+
+pkg_postinst() {
+	echo
+	einfo "Before you use GAMESS for any serious work you HAVE"
+	einfo "to run the supplied test files located in"
+	einfo "/usr/share/gamess/tests and check them thoroughly."
+	einfo "Otherwise all scientific publications resulting from"
+	einfo "your GAMESS runs should be immediately rejected :)"
+	einfo "To do so copy the content of /usr/share/gamess/tests"
+	einfo "to some temporary location and execute './runall'. "
+	einfo "Then run the checktst script in the same directory to"
+	einfo "validate the tests."
+	einfo "Please consult TEST.DOC and the other docs!"
+
+	if [[ "${FORTRANC}" == "ifc" ]]; then
+		echo
+		ewarn "IMPORTANT NOTE: We STRONGLY recommend to stay away"
+		ewarn "from ifc-9.0 for now and use the ifc-8.1 series of"
+		ewarn "compilers UNLESS you can run through ALL of the "
+		ewarn "test cases (see above) successfully."
+	fi
+
+	echo
+	einfo "If you want to run on more than a single CPU"
+	einfo "you will have to acquaint yourself with the way GAMESS"
+	einfo "does multiprocessor runs and adjust rungms according to"
+	einfo "your target network architecture."
+	echo
+}