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authorDanny van Dyk <kugelfang@gentoo.org>2007-01-07 02:18:58 +0000
committerDanny van Dyk <kugelfang@gentoo.org>2007-01-07 02:18:58 +0000
commit11ec8f486974f074bcb5494e2a91a787a82a065d (patch)
tree4585b2215978204ab21ed4fbfc884ebcd664ed78 /sci-chemistry
parentQA: Removed unused versions. (diff)
downloadgentoo-2-11ec8f486974f074bcb5494e2a91a787a82a065d.tar.gz
gentoo-2-11ec8f486974f074bcb5494e2a91a787a82a065d.tar.bz2
gentoo-2-11ec8f486974f074bcb5494e2a91a787a82a065d.zip
QA: Removed unused versions.
(Portage version: 2.1.2_pre2-r1) (Signed Manifest commit)
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/gamess/Manifest34
-rw-r--r--sci-chemistry/gamess/files/digest-gamess-20060222.23
-rw-r--r--sci-chemistry/gamess/files/digest-gamess-20060222.53
-rw-r--r--sci-chemistry/gamess/gamess-20060222.2.ebuild247
-rw-r--r--sci-chemistry/gamess/gamess-20060222.5.ebuild209
5 files changed, 14 insertions, 482 deletions
diff --git a/sci-chemistry/gamess/Manifest b/sci-chemistry/gamess/Manifest
index 7b727ad135ca..5ca591fd97c8 100644
--- a/sci-chemistry/gamess/Manifest
+++ b/sci-chemistry/gamess/Manifest
@@ -1,3 +1,6 @@
+-----BEGIN PGP SIGNED MESSAGE-----
+Hash: SHA1
+
AUX comp-lked-20060222.2.patch 3547 RMD160 a8b1a0a2e671ded8ea6dc72880c6858822cb88f2 SHA1 27f5451cde2f332bc29b669afbc084de0402b748 SHA256 1cca96ac59a1756f25c90efae67bfa00606dbfb97722054ba322b0e66d0c0206
MD5 f35051be79ba967ce07ad02fcbcbccb1 files/comp-lked-20060222.2.patch 3547
RMD160 a8b1a0a2e671ded8ea6dc72880c6858822cb88f2 files/comp-lked-20060222.2.patch 3547
@@ -22,35 +25,26 @@ AUX rungms-runall-20060222.2.patch 2293 RMD160 22b884e347d08a2041006a7789a7e9daf
MD5 8088ad360fe8b034b5b36deeac7a9a3b files/rungms-runall-20060222.2.patch 2293
RMD160 22b884e347d08a2041006a7789a7e9daf3d83483 files/rungms-runall-20060222.2.patch 2293
SHA256 6b995a78ca1b74e2936f553e8cc286303211d040c9f35a8c540f4b8ce88ae331 files/rungms-runall-20060222.2.patch 2293
-DIST gamess-20060222.2.tar.gz 6438153 RMD160 e833f0562591ac1bc56b88653012733e63025b6f SHA1 f31cd02beb8e3f38772be416a7d1d6c7bee9a579 SHA256 480c21c3c684fe384cb6612438b9e2112588ce7518a3fe1c82643e8a69edc304
-DIST gamess-20060222.5.tar.gz 7546444 RMD160 3c0c0f758578106c5ae74a12a8c18d663cc81291 SHA1 adb7e923f4308d211ba87208aeec7ee2d9a263fe SHA256 a383ce26a770c7ad0d5107f470f0baae80e45778e0f8b2c7a10a57e4aa3f662c
DIST gamess-20060907.4.tar.gz 7864905 RMD160 6e01ab4aabc41980fff74b512ef3b952a5e3f0c8 SHA1 f48ad18115b24861fffdc16cebe97e6b1ed80091 SHA256 8361f50e18ce5301e42375f820d8c41297ca1639fe02441c0a376b19d5e61ea9
-EBUILD gamess-20060222.2.ebuild 7646 RMD160 a420b964d1f966cc0671e85b9ca93476edbde1bc SHA1 44b5d3461fc3488c32fa224d7d890e9d9a18ca95 SHA256 b62a9d4c6995f792e14b6a66d55360a7ced3dc43682d6b154cf7bc0636ff9539
-MD5 7ec74a1330233f8db990fee265d8badd gamess-20060222.2.ebuild 7646
-RMD160 a420b964d1f966cc0671e85b9ca93476edbde1bc gamess-20060222.2.ebuild 7646
-SHA256 b62a9d4c6995f792e14b6a66d55360a7ced3dc43682d6b154cf7bc0636ff9539 gamess-20060222.2.ebuild 7646
-EBUILD gamess-20060222.5.ebuild 6160 RMD160 e015c592facca2de9ae4a3dbaa6f00bf0118be42 SHA1 761eca7fb5d402c952ac84609101717457882568 SHA256 43e567cceb37f5318a752e6f66cb8eb6e08474430e56ae2118bf4eed01f3d5fe
-MD5 8c91c53032104a1a9789e2c00aeea8b9 gamess-20060222.5.ebuild 6160
-RMD160 e015c592facca2de9ae4a3dbaa6f00bf0118be42 gamess-20060222.5.ebuild 6160
-SHA256 43e567cceb37f5318a752e6f66cb8eb6e08474430e56ae2118bf4eed01f3d5fe gamess-20060222.5.ebuild 6160
EBUILD gamess-20060907.4.ebuild 6389 RMD160 4a54c20a380ed94502bd6e2d43f1169139db81db SHA1 21bfaa151b199fc0d2e1aad31072338f6f372182 SHA256 e9464dd66c6e2ef6c04c89eb5b7efe82cc53055c7df848b60c47b106401c747c
MD5 735849b937e40986b685994c6968064c gamess-20060907.4.ebuild 6389
RMD160 4a54c20a380ed94502bd6e2d43f1169139db81db gamess-20060907.4.ebuild 6389
SHA256 e9464dd66c6e2ef6c04c89eb5b7efe82cc53055c7df848b60c47b106401c747c gamess-20060907.4.ebuild 6389
-MISC ChangeLog 4704 RMD160 eb7a17b3c93dc1fcba08449095c682e9e760cd28 SHA1 ca9a0d11cb5cd131a5442a7acb555c0cdf0f4718 SHA256 63fdc3e572e28755365157095448922ad924a1b72c9f066bb32c167ada956237
-MD5 1060f419102707f5a2f92d5e4b042460 ChangeLog 4704
-RMD160 eb7a17b3c93dc1fcba08449095c682e9e760cd28 ChangeLog 4704
-SHA256 63fdc3e572e28755365157095448922ad924a1b72c9f066bb32c167ada956237 ChangeLog 4704
+MISC ChangeLog 4845 RMD160 86098f8474ec0c04b2177da1c5448afe0eb4e9af SHA1 5634ed67ed4892d5fd8c6566418f6eee956f69fb SHA256 b08ce552954af0d7481c9d5c04b3c43e3b0cf4eea12dd4cd97e08557817736cc
+MD5 78c0378f3625270cb95e841257317b8c ChangeLog 4845
+RMD160 86098f8474ec0c04b2177da1c5448afe0eb4e9af ChangeLog 4845
+SHA256 b08ce552954af0d7481c9d5c04b3c43e3b0cf4eea12dd4cd97e08557817736cc ChangeLog 4845
MISC metadata.xml 264 RMD160 f2d7d7c401f209aec88c85770c5d1fc73ee66c89 SHA1 90b72142265c0cf5b2e2c37f6d14209fc12de279 SHA256 a6dba0fee2e8489ae831c04e7240ee646ac65c2333485a3ae46da9ed000c4d9f
MD5 77147e914a4b31a9394148a47cccbf2d metadata.xml 264
RMD160 f2d7d7c401f209aec88c85770c5d1fc73ee66c89 metadata.xml 264
SHA256 a6dba0fee2e8489ae831c04e7240ee646ac65c2333485a3ae46da9ed000c4d9f metadata.xml 264
-MD5 48cee4f6d91822b3ecd488c91faa8edc files/digest-gamess-20060222.2 256
-RMD160 fe5736ffd391b5bbb8c2b0fd0ca1cc8f16d6289f files/digest-gamess-20060222.2 256
-SHA256 d4dfab6eb88cc38fcf5528e937579905ab4d21ed7d8e6947871d53a12e0c8b21 files/digest-gamess-20060222.2 256
-MD5 8d7a30849b18431a71e82c57c33114cf files/digest-gamess-20060222.5 256
-RMD160 e522464f96aded4ee678c21d15f6b8aa236b89fa files/digest-gamess-20060222.5 256
-SHA256 374123c0ff566869b45c0513e8aefddea579f42be9c7d9794d69956f1fa04465 files/digest-gamess-20060222.5 256
MD5 b68f0d67985e27d9dd87e253b24562b0 files/digest-gamess-20060907.4 256
RMD160 dee7f73ba970a9f2752d051bfe5b9fb63a64ccf2 files/digest-gamess-20060907.4 256
SHA256 9d599766437686873907e88b32e456763da018fb1c3a10291e5c34a8802dac9e files/digest-gamess-20060907.4 256
+-----BEGIN PGP SIGNATURE-----
+Version: GnuPG v1.4.4 (GNU/Linux)
+
+iD8DBQFFoFiU5mJXAu5GbtIRAqPQAJ9OJnsWBe2TpFIBdKvNVPVYrwiCFQCfUmkI
+ruFpkBmBBeVTCSTEI2Z1IBI=
+=Taax
+-----END PGP SIGNATURE-----
diff --git a/sci-chemistry/gamess/files/digest-gamess-20060222.2 b/sci-chemistry/gamess/files/digest-gamess-20060222.2
deleted file mode 100644
index 6880ae0f9c7e..000000000000
--- a/sci-chemistry/gamess/files/digest-gamess-20060222.2
+++ /dev/null
@@ -1,3 +0,0 @@
-MD5 d488b090c8b5001c5c22a06f4fe06997 gamess-20060222.2.tar.gz 6438153
-RMD160 e833f0562591ac1bc56b88653012733e63025b6f gamess-20060222.2.tar.gz 6438153
-SHA256 480c21c3c684fe384cb6612438b9e2112588ce7518a3fe1c82643e8a69edc304 gamess-20060222.2.tar.gz 6438153
diff --git a/sci-chemistry/gamess/files/digest-gamess-20060222.5 b/sci-chemistry/gamess/files/digest-gamess-20060222.5
deleted file mode 100644
index 93b4855cee72..000000000000
--- a/sci-chemistry/gamess/files/digest-gamess-20060222.5
+++ /dev/null
@@ -1,3 +0,0 @@
-MD5 c39a64ddba87dffb8ac54db859565a70 gamess-20060222.5.tar.gz 7546444
-RMD160 3c0c0f758578106c5ae74a12a8c18d663cc81291 gamess-20060222.5.tar.gz 7546444
-SHA256 a383ce26a770c7ad0d5107f470f0baae80e45778e0f8b2c7a10a57e4aa3f662c gamess-20060222.5.tar.gz 7546444
diff --git a/sci-chemistry/gamess/gamess-20060222.2.ebuild b/sci-chemistry/gamess/gamess-20060222.2.ebuild
deleted file mode 100644
index ba0a973fe03d..000000000000
--- a/sci-chemistry/gamess/gamess-20060222.2.ebuild
+++ /dev/null
@@ -1,247 +0,0 @@
-# Copyright 1999-2006 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20060222.2.ebuild,v 1.7 2006/06/30 14:33:50 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="${P}.tar.gz"
-
-SLOT="0"
-KEYWORDS="~ppc ~x86"
-IUSE="hardened blas"
-
-RESTRICT="fetch"
-
-DEPEND="app-shells/tcsh
- hardened? ( sys-apps/paxctl )
- blas? ( virtual/blas )"
-
-RDEPEND="app-shells/tcsh
- net-misc/openssh"
-
-S="${WORKDIR}/${PN}"
-
-GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html"
-GAMESS_VERSION="22 FEB 2006 (R2)"
-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}"/comp-lked-20060222.2.patch
- epatch "${FILESDIR}"/ddi-use-ssh-gentoo.patch
- epatch "${FILESDIR}"/rungms-runall-20060222.2.patch
- epatch "${FILESDIR}"/gamess-glibc-2.4-gentoo.patch
-
- # for hardened-gcc let't turn off ssp, since it breakes
- # a few routines
- cd "${S}"
- if use hardened && [[ "${FORTRANC}" = "g77" ]]; then
- FFLAGS="${FFLAGS} -fno-stack-protector-all"
- fi
-
- # some fixes for gfortan;
- # also append -w otherwise we get flooded with Hollerith
- # constant warnings
- if [[ "${FORTRANC}" == "gfortran" ]]; then
- FFLAGS="${FFLAGS} -w"
-
- sed -e "s|-fno-move-all-movables|-w|g" \
- -e "s|*F2C|*F77|g" \
- -e "s|-Wno-globals -fno-globals||g" \
- -i comp || die "Failed removing compile flags"
-
- # need to use _gfortran_ namespace
- sed -e "s|iargc_|_gfortran_iargc|g" \
- -e "s|getarg_|_gfortran_getarg_i4|g" \
- -i ddi/src/ddi_fortran.c || \
- die "Failed to fix gfortran namespace in ddi_fortran.c"
- fi
-
- # 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/-malign-double -fautomatic /-cm -w \$MODULE.f/" \
- -e "s/-Wno-globals -fno-globals \$MODULE.f//" \
- -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 || [[ "${FORTRANC}" = "ifc" ]]; then
- sed -e "s|/usr/lib/libblas.a|/usr/lib/dontuselibblas.a|" \
- -i lked || die "Failed to adjust blas in lked"
- fi
-
- # fix up GAMESS' linker script;
- if [[ "${FORTRANC}" == "ifc" ]]; then
- sed -e "s/gentoo-LDR='g77'/LDR='${FORTRANC}'/" \
- -e "s/gentoo-LDOPTS=' '/LDOPTS='${LDFLAGS}'/" \
- -i lked || die "Failed setting up lked script"
- else
- sed -e "s/gentoo-LDR='g77'/LDR='${FORTRANC}'/" \
- -e "s/gentoo-LDOPTS=' '/LDOPTS='${LDFLAGS}'/" \
- -i lked || die "Failed patching lked script"
- fi
-
- # fix up GAMESS' ddi TCP/IP socket build
- sed -e "s/gentoo-CC = 'gcc'/CC = '$(tc-getCC)'/" \
- -i ddi/compddi || die "Failed setting up compddi script"
-
- # for ifc/gcc-4.x we have to fix the number of underscores of
- # fortran symbols, otherwise the linker will barf
- if [[ "${FORTRANC}" == "ifc" ]] || \
- [[ $(gcc-major-version) -ge 4 ]]; then
- sed -e "s/gentoo-F77_OPTS = '-DINT_SIZE=int -D_UNDERSCORES=2/F77_OPTS = '-DINT_SIZE=int -D_UNDERSCORES=1/" \
- -i ddi/compddi || die "Failed fixing underscores in compddi"
- else
- sed -e "s/gentoo-F77_OPTS/F77_OPTS/" \
- -i ddi/compddi || die "Failed fixing underscores in compddi"
- fi
-
- # fix up the checker scripts for gamess tests
- sed -e "s:set GMSPATH:#set GMSPATH:g" \
- -e "s:\$GMSPATH/tools/checktst:.:g" \
- -i tools/checktst/checktst
-}
-
-src_compile() {
- # build actvte
- cd "${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 ${PN}.00.x 2> /dev/null || \
- die "paxctl failed on actvte.x"
- fi
-}
-
-src_install() {
- cd "${S}"
-
- # the executables
- dobin ${PN}.00.x ddi/ddikick.x rungms \
- || die "Failed installing binaries"
-
- # the docs
- dodoc *.DOC || die "Failed installing docs"
-
- # install ericftm
- insinto /usr/share/${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"
-}
-
-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
-}
diff --git a/sci-chemistry/gamess/gamess-20060222.5.ebuild b/sci-chemistry/gamess/gamess-20060222.5.ebuild
deleted file mode 100644
index 0e3af474ff13..000000000000
--- a/sci-chemistry/gamess/gamess-20060222.5.ebuild
+++ /dev/null
@@ -1,209 +0,0 @@
-# Copyright 1999-2006 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20060222.5.ebuild,v 1.1 2006/09/26 14:43:09 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="${P}.tar.gz"
-
-SLOT="0"
-KEYWORDS="~ppc ~x86"
-IUSE="hardened blas"
-
-RESTRICT="fetch"
-
-DEPEND="app-shells/tcsh
- hardened? ( sys-apps/paxctl )
- blas? ( virtual/blas )"
-
-RDEPEND="app-shells/tcsh
- net-misc/openssh"
-
-S="${WORKDIR}/${PN}"
-
-GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html"
-GAMESS_VERSION="22 FEB 2006 (R5)"
-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
-
- # 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 ${PN}.00.x 2> /dev/null || \
- die "paxctl failed on actvte.x"
- fi
-}
-
-src_install() {
- cd "${S}"
-
- # the executables
- dobin ${PN}.00.x ddi/ddikick.x rungms \
- || die "Failed installing binaries"
-
- # the docs
- dodoc *.DOC || die "Failed installing docs"
-
- # install ericftm
- insinto /usr/share/${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"
-}
-
-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
-}