sci-chemistry/gamess: Remove last-rited pkg, #612742

6 files changed, 0 insertions, 659 deletions

diff --git a/sci-chemistry/gamess/Manifest b/sci-chemistry/gamess/Manifest
deleted file mode 100644
index d6cb7f6ac13..00000000000
--- a/sci-chemistry/gamess/Manifest
+++ /dev/null
@@ -1,2 +0,0 @@
-DIST gamess-20110811.1.tar.gz 21105973 SHA256 b7b7af0eb141c140da31bcd9ef29fbafd82fbe45c087cadd7948d4c0a3cefe57
-DIST tinker.tar.Z 1902051 SHA256 7c52454ade7dd81d1b70a7e7722eda3672c644a3ba67ab444824a0212b4a7a8c
diff --git a/sci-chemistry/gamess/files/gamess-20110811.1.gentoo.patch b/sci-chemistry/gamess/files/gamess-20110811.1.gentoo.patch
deleted file mode 100644
index 7bf5797bf51..00000000000
--- a/sci-chemistry/gamess/files/gamess-20110811.1.gentoo.patch
+++ /dev/null
@@ -1,263 +0,0 @@
-diff -urN gamess.orig/comp gamess/comp
---- gamess.orig/comp	2011-08-11 17:37:48.000000000 +0200
-+++ gamess/comp	2011-10-11 15:17:23.349829478 +0200
-@@ -1444,7 +1444,7 @@
- #   g77 does not support FORTRAN logical units above 99, or 128 bit math.
- #
-    case g77:
--   set OPT = '-O2'
-+   set gentoo-OPT = '-O2'
-    if ($MODULE == ormas1) set OPT='-O2 -fno-move-all-movables' # RH9, g77 3.3
-    if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling
-    if (($MODULE == qeigen) || ($MODULE == int2c)) then
-@@ -1474,7 +1474,7 @@
- #      -std=legacy  suppresses warnings about use of f77 constructs.
- #
-    case gfortran:
--   set OPT='-O2'
-+   set gentoo-OPT = '-O2'
-    if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling
-    if ($MODULE == pcmcv2) set OPT='-O1'  # EFP+CPCM, ala Francois, v4.1.2
-    if (($MODULE == qeigen) || ($MODULE == int2c)) then
-@@ -1500,7 +1500,7 @@
- #    optimizations in 32 bit mode, as a function of the ifort version.
- #
-    case ifort:
--   set OPT = '-O3'
-+   set gentoo-OPT = '-O2'
-    if ($MODULE == delocl) set OPT='-O0'  # from Cheol
-    if ($MODULE == prpamm) set OPT='-O0'  # for exam13
-    if ($MODULE == zheev)  set OPT='-O0'
-@@ -1617,7 +1617,7 @@
-    case gfortran:
- #           -finit-real=<zero|inf|-inf|nan>  could be interesting debug opt
- #           -fno-automatic forces static storage of all local variables
--      set OPT='-O2'
-+      set gentoo-OPT = '-O2'
-       if (".$GMS_DEBUG_FLAGS" != .) set OPT="$GMS_DEBUG_FLAGS"
-       if ($MODULE == zheev)  set OPT='-O0'  # defensive compiling
-       if (($MODULE == qeigen) || ($MODULE == int2c)) then
-@@ -1648,7 +1648,7 @@
- #     -WB means warn but don't fail on out-of-bounds array references
- #     -ftz flushes underflow results to zero
- #
--      set OPT = '-O2'
-+      set gentoo-OPT = '-O2'
-       if (".$GMS_DEBUG_FLAGS" != .) set OPT="$GMS_DEBUG_FLAGS"
- #       alas, I'm so tired of hearing about so many versions failing to
- #       diagonalize, that this time critical code is run w/o optimization.
-diff -urN gamess.orig/compall gamess/compall
---- gamess.orig/compall	2011-05-17 22:53:33.000000000 +0200
-+++ gamess/compall	2011-10-11 12:13:30.041087251 +0200
-@@ -84,12 +84,11 @@
-    endif
- endif
- if ($TARGET == linux32)      set extraflags='-DLINUX32'
--if ($TARGET == linux64)      then
-+if ($TARGET == linux64) then
-+	set chip=`uname -m`
- #      Ubuntu uses the non-standard -m flag, its -p replies "unknown"
--                         set chip=`uname -p`
--   if ($chip == unknown) set chip=`uname -m`
--   if ($chip == x86_64) set extraflags='-DLINUX64 -m64'
--   if ($chip == ia64)   set extraflags='-DLINUX64'  # this always 64 bits
-+   	if ($chip == x86_64) set extraflags='-DLINUX64 -m64'
-+   	if ($chip == ia64)   set extraflags='-DLINUX64'  # this always 64 bits
- endif
- if ($TARGET == mac32)        set extraflags='-DLINUX32'
- if ($TARGET == mac64)    set extraflags='-DLINUX64 -m64 -I/usr/include/malloc'
-diff -urN gamess.orig/ddi/compddi gamess/ddi/compddi
---- gamess.orig/ddi/compddi	2011-02-15 21:31:30.000000000 +0100
-+++ gamess/ddi/compddi	2011-10-11 12:23:45.513796580 +0200
-@@ -634,7 +634,7 @@
- 
-      set FORTRAN=$GMS_FORTRAN   # might be g77, gfortran, ifort, pgf77, f2c
- 
--     set CC = 'gcc'
-+     set gentoo-CC = 'gcc'
-      set CFLAGS = "-DLINUX -O3 -fstrict-aliasing -I./"
-      set CLIBS  = "-lpthread"
- 
-@@ -687,7 +687,7 @@
-                              set ARCH='-m64'
-      if (`uname -p` == ia64) set ARCH=''
- 
--     set CC = 'gcc'
-+     set gentoo-CC = 'gcc'
-      set CFLAGS = "-DLINUX $ARCH -O3 -fstrict-aliasing -I./"
-      set CLIBS  = "-lpthread"
- 
-diff -urN gamess.orig/ddi/kickoff/ddikick.c gamess/ddi/kickoff/ddikick.c
---- gamess.orig/ddi/kickoff/ddikick.c	2008-05-06 12:16:12.000000000 +0200
-+++ gamess/ddi/kickoff/ddikick.c	2011-10-11 12:25:11.862714681 +0200
-@@ -105,7 +105,7 @@
-           remoteshell = argv[++i];
-        } else {
-           if((remoteshell = getenv("DDI_RSH")) == NULL) {
--              remoteshell = (char *) strdup("rsh");
-+              remoteshell = (char *) strdup("ssh");
-           }
-        }
- 
-diff -urN gamess.orig/lked gamess/lked
---- gamess.orig/lked	2011-08-11 17:41:02.000000000 +0200
-+++ gamess/lked	2011-10-11 12:26:38.564634821 +0200
-@@ -53,7 +53,7 @@
- #
- #   3. optional Nuclear-Electronic Orbital method, using NEO code
- #
--set NEO=false
-+set NEO=true
- #
- #   4. optional Nvidia/CUDA code, for closed shell SCF Fock construction 
- #         see ~/gamess/libcchem/aaa.readme.1st for more information
-@@ -356,17 +356,17 @@
-    switch ($GMS_FORTRAN)
-      case g77:
-         set LDR='g77'
--        set LDOPTS=' '  # add '-Wl,-M' to see load map
-+        set gentoo-LDOPTS=' '  # add '-Wl,-M' to see load map
-         set FORTLIBS=' '
-         breaksw
-      case gfortran:
-         set LDR='gfortran'
--        set LDOPTS=' '
-+        set gentoo-LDOPTS=' '
-         set FORTLIBS=' '
-         breaksw
-      case ifort:
-         set LDR='ifort'
--        set LDOPTS=' '  # add '-Wl,-M' to see load map
-+        set gentoo-LDOPTS=' '  # add '-Wl,-M' to see load map
-         set FORTLIBS='-Vaxlib'
-         breaksw
-      case pgf77:
-@@ -376,7 +376,7 @@
-         breaksw
-      case f2c:
-         set LDR='gcc'
--        set LDOPTS=' '
-+        set gentoo-LDOPTS=' '
-         set FORTLIBS='-lf2c -lm'
-         breaksw
-      default:
-@@ -427,12 +427,7 @@
-       #     Otherwise, attempt a link against shared object libs.
-       #     See the 64 bit Atlas below for a way to fix the linker's
-       #     not being able to locate -lf77blas, if that happens.
--      if (-e $GMS_MATHLIB_PATH/libf77blas.a) then
--         set MATHLIBS="$GMS_MATHLIB_PATH/libf77blas.a"
--         set MATHLIBS="$MATHLIBS $GMS_MATHLIB_PATH/libatlas.a"
--      else
--         set MATHLIBS="-L$GMS_MATHLIB_PATH -lf77blas -latlas"
--      endif
-+      set MATHLIBS=`${PKG_CONFIG} --libs blas`
-       set BLAS=' '
-       breaksw
- 
-@@ -466,12 +461,12 @@
-    switch ($GMS_FORTRAN)
-       case gfortran:
-          set LDR='gfortran'
--         set LDOPTS=' '
-+         set gentoo-LDOPTS=' '
-          set FORTLIBS=' '
-          breaksw
-       case ifort:
-          set LDR='ifort'
--         set LDOPTS='-i8'  # -Wl,-M generates a load map
-+         set gentoo-LDOPTS=' '  # -Wl,-M generates a load map
- #            this auxiliary library seems to have disappeared in ifort 10
-          set FORTLIBS=' '
-          if($GMS_IFORT_VERNO < 10) set FORTLIBS='-Vaxlib'
-@@ -556,12 +551,7 @@
-       #          ln -s liblapack_atlas.so.3.0 liblapack.so
-       #          ln -s liblapack.so.3.0       liblapack.so
-       #     It is strange the RPM's don't do these soft links for us.
--      if (-e $GMS_MATHLIB_PATH/libf77blas.a) then
--         set MATHLIBS="$GMS_MATHLIB_PATH/libf77blas.a"
--         set MATHLIBS="$MATHLIBS $GMS_MATHLIB_PATH/libatlas.a"
--      else
--         set MATHLIBS="-L$GMS_MATHLIB_PATH -lf77blas -latlas"
--      endif
-+      set MATHLIBS=`${PKG_CONFIG} --libs blas`
-       set BLAS=' '
-       breaksw
- 
-diff -urN gamess.orig/runall gamess/runall
---- gamess.orig/runall	2009-02-28 00:57:18.000000000 +0100
-+++ gamess/runall	2011-10-11 12:27:32.195586568 +0200
-@@ -10,7 +10,6 @@
- #
- #  Only the following two lines need to be customized:
- #
--chdir /u1/mike/gamess
- set VERNO=00
- #
- #  Loop over all Ntest jobs supplied with GAMESS
-@@ -27,7 +26,7 @@
-      gms -v $VERNO -q ti -l exam$NUM.log exam$NUM
-      sleep 5
-   else
--     ./rungms exam$NUM $VERNO 1  >&  exam$NUM.log
-+     rungms exam$NUM $VERNO 1  >&  exam$NUM.log
-   endif
-   @ i++
- end
-diff -urN gamess.orig/rungms gamess/rungms
---- gamess.orig/rungms	2011-08-04 21:03:11.000000000 +0200
-+++ gamess/rungms	2011-10-11 12:30:05.244448126 +0200
-@@ -55,7 +55,7 @@
- #       one for LoadLeveler "ll-gms" on the IBM SP line.
- #
- set TARGET=sockets
--set SCR=/scr/$USER
-+set SCR=`pwd`
- #
- set JOB=$1      # name of the input file xxx.inp, give only the xxx part
- set VERNO=$2    # revision number of the executable created by 'lked' step
-@@ -144,7 +144,7 @@
- #     used by the NEO method.  See NEO's documentation for more details.
- #
- set echo
--setenv AUXDATA ~mike/gamess/auxdata
-+setenv AUXDATA /usr/share/gamess
- setenv  EXTBAS /dev/null
- setenv  NUCBAS /dev/null
- setenv  POSBAS /dev/null
-@@ -153,12 +153,12 @@
- setenv MCPPATH $AUXDATA/MCP
- setenv BASPATH $AUXDATA/BASES
- setenv QUANPOL $AUXDATA/QUANPOL
--setenv  MAKEFP ~$USER/scr/$JOB.efp
--setenv   GAMMA ~$USER/scr/$JOB.gamma
--setenv TRAJECT ~$USER/scr/$JOB.trj
--setenv RESTART ~$USER/scr/$JOB.rst
-+setenv  MAKEFP $SCR/$JOB.efp
-+setenv   GAMMA $SCR/$JOB.gamma
-+setenv TRAJECT $SCR/$JOB.trj
-+setenv RESTART $SCR/$JOB.rst
- setenv   INPUT $SCR/$JOB.F05
--setenv   PUNCH ~$USER/scr/$JOB.dat
-+setenv   PUNCH $SCR/$JOB.dat
- setenv  AOINTS $SCR/$JOB.F08
- setenv  MOINTS $SCR/$JOB.F09
- setenv DICTNRY $SCR/$JOB.F10
-@@ -347,7 +347,7 @@
-     if (null$4 == null) set ELGNAME=ELGFILE
-     set echo
-     setenv AOINTS   $SCR/$ELGNAME.F08
--    setenv ELGDOS   ~$USER/scr/$JOB.ldos
-+    setenv ELGDOS   $SCR/$JOB.ldos
-     setenv ELGDAT   $SCR/$ELGNAME.F71
-     setenv ELGPAR   $SCR/$ELGNAME.F72
-     setenv ELGCUT   $SCR/$ELGNAME.F74
-@@ -500,7 +500,7 @@
-    if ($os == AIX)     set GMSPATH=/u1/mike/gamess
-    if ($os == Darwin)  set GMSPATH=/Users/mike/desktop/gamess
-    if ($os == HP-UX)   set GMSPATH=/zr/mike/gamess
--   if ($os == Linux)   set GMSPATH=/cu/mike/gamess
-+   if ($os == Linux)   set GMSPATH=/usr/bin
-    if ($os == OSF1)    set GMSPATH=/in/mike/gamess
-    if ($os == SunOS)   set GMSPATH=/hf/mike/gamess
- #       special compilation for Sun E450 uSPARC       (uname also= SunOS)
diff --git a/sci-chemistry/gamess/files/gamess-checktst.patch b/sci-chemistry/gamess/files/gamess-checktst.patch
deleted file mode 100644
index 9fc1547e454..00000000000
--- a/sci-chemistry/gamess/files/gamess-checktst.patch
+++ /dev/null
@@ -1,21 +0,0 @@
---- gamess.orig/tools/checktst/checktst	2008-12-30 16:33:09.000000000 +0100
-+++ gamess/tools/checktst/checktst	2011-10-11 22:06:26.019798622 +0200
-@@ -6,7 +6,6 @@
- #
- # Only the path name in the very next line needs to be customized.
- #
--set GMSPATH=~/gamess
- 
- # The Ntest outputs are assumed to be named exam01.log, exam02.log, ...
- # but the user will be allowed to specify the directory containing them.
-@@ -66,8 +65,8 @@
- setenv tolW 0.1
- setenv tolX 0.00001
- 
--set script=$GMSPATH/tools/checktst/exam
--setenv chkabs $GMSPATH/tools/checktst/chkabs
-+set script=./exam
-+setenv chkabs ./chkabs
- 
- #   If we don't see the message about GAMESS exiting normally,
- #   then there is surely a mistake, and we want to focus the
diff --git a/sci-chemistry/gamess/files/gamess-qmmm-tinker-fix-idate.patch b/sci-chemistry/gamess/files/gamess-qmmm-tinker-fix-idate.patch
deleted file mode 100644
index 34f291382d4..00000000000
--- a/sci-chemistry/gamess/files/gamess-qmmm-tinker-fix-idate.patch
+++ /dev/null
@@ -1,20 +0,0 @@
-diff -urN gamess/tinker.orig/Libtad.f gamess/tinker/Libtad.f
---- gamess/tinker.orig/Libtad.f	2010-05-12 21:41:56.000000000 +0400
-+++ gamess/tinker/Libtad.f	2010-12-08 01:05:31.000000000 +0300
-@@ -1332,11 +1332,15 @@
- c     and for Macintosh under Absoft Pro Fortran 5.0
- c
-       integer hms(3)
-+      integer tarray(3)
-       call itime (hms)
-       hour = hms(1)
-       minute = hms(2)
-       second = hms(3)
--      call idate (month,day,year)
-+      call idate (tarray)
-+      month = tarray(1)
-+      day = tarray(2)
-+      year = tarray(3)
- c
- c     code for IBM RS/6000 under AIX appends an underscore
- c
diff --git a/sci-chemistry/gamess/gamess-20110811.1.ebuild b/sci-chemistry/gamess/gamess-20110811.1.ebuild
deleted file mode 100644
index 9e11e55d3ce..00000000000
--- a/sci-chemistry/gamess/gamess-20110811.1.ebuild
+++ /dev/null
@@ -1,336 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=4
-
-inherit eutils fortran-2 flag-o-matic pax-utils toolchain-funcs
-
-DESCRIPTION="A powerful quantum chemistry package"
-LICENSE="gamess"
-HOMEPAGE="http://www.msg.chem.iastate.edu/GAMESS/GAMESS.html"
-SRC_URI="
-		${P}.tar.gz
-		qmmm-tinker? ( tinker.tar.Z )"
-
-SLOT="0"
-# NOTE: PLEASE do not stabilize gamess. It does not make sense
-# since the tarball has fetch restrictions and upstream only
-# provides the latest version. In other words: As soon as a
-# new version comes out the stable version will be useless since
-# users can not get at the tarball any more.
-KEYWORDS="~amd64 ~ppc ~x86"
-IUSE="mpi neo pax_kernel qmmm-tinker"
-
-CDEPEND="
-	app-shells/tcsh
-	mpi? ( virtual/mpi )
-	virtual/blas"
-DEPEND="${CDEPEND}
-	virtual/pkgconfig"
-RDEPEND="${CDEPEND}
-	net-misc/openssh"
-
-S="${WORKDIR}/${PN}"
-
-RESTRICT="fetch"
-
-GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html"
-GAMESS_VERSION="1 AUG 2011 (R1)"
-
-pkg_nofetch() {
-	echo
-	elog "Please download ${PN}-current.tar.gz from"
-	elog "${GAMESS_DOWNLOAD}."
-	elog "Be sure to select the version ${GAMESS_VERSION} tarball!!"
-	elog "Then move the tarball to"
-	elog "${DISTDIR}/${P}.tar.gz"
-	if use qmmm-tinker ; then
-		elog "Also download http://www.msg.ameslab.gov/GAMESS/tinker.tar.Z"
-		elog "and place tinker.tar.Z to ${DISTDIR}"
-	fi
-	echo
-}
-
-get_fcomp() {
-	case $(tc-getFC) in
-		*gfortran* )
-			FCOMP="gfortran" ;;
-		ifort )
-			FCOMP="ifc" ;;
-		* )
-			FCOMP=$(tc-getFC) ;;
-	esac
-}
-
-pkg_setup() {
-	fortran-2_pkg_setup
-	get_fcomp
-	# currently amd64 is only supported with gfortran
-	if [[ "${ARCH}" == "amd64" ]] && [[ ${FCOMP} != *gfortran* ]];
-		then die "You will need gfortran to compile gamess on amd64"
-	fi
-
-	# note about qmmm-tinker
-	if use qmmm-tinker; then
-			einfo "By default MM subsistem is restricted to 1000 atoms"
-			einfo "if you want larger MM subsystems then you should set"
-			einfo "QMMM_GAMESS_MAXMM variable to needed value in your make.conf"
-			einfo "By default maximum number of atom classes types and size of"
-			einfo "hessian are restricted to 250, 500 and 1000000 respectively"
-			einfo "If you want larger sizes set:"
-			einfo "QMMM_GAMESS_MAXCLASS"
-			einfo "QMMM_GAMESS_MAXCTYP"
-			einfo "QMMM_GAMESS_MAXHESS"
-			einfo "in your make.conf"
-	fi
-
-	#note about mpi
-	if use mpi; then
-		ewarn ""
-		ewarn "You should adjust rungms script for your mpi implentation"
-		ewarn "because deafult one will not work"
-		ewarn ""
-	fi
-}
-
-src_unpack() {
-	unpack ${A}
-
-	if use qmmm-tinker; then
-		mv tinker gamess/ || die "failed to move tinker directory"
-	fi
-}
-
-src_prepare() {
-	tc-export PKG_CONFIG
-	# apply LINUX-arch patches to gamess makesfiles
-	epatch "${FILESDIR}/${P}.gentoo.patch"
-	epatch "${FILESDIR}/${PN}-checktst.patch"
-	# select arch
-	# NOTE: please leave lked alone; it should be good as is!!
-	cd "${S}"
-	local active_arch;
-	if [[ "${ARCH}" == "amd64" ]]; then
-		active_arch="linux64";
-	else
-		active_arch="linux32";
-	fi
-
-	# for hardened-gcc let't turn off ssp, since it breakes
-	# a few routines
-	if use pax_kernel && [[ ${FCOMP} == g77 ]]; then
-		FFLAGS="${FFLAGS} -fno-stack-protector-all"
-	fi
-
-	# Enable mpi stuff
-	if use mpi; then
-		sed -e "s:set COMM = sockets:set COMM = mpi:g" \
-			-i ddi/compddi || die "Enabling mpi build failed"
-		sed -e "s:MPI_INCLUDE_PATH = ' ':MPI_INCLUDE_PATH =	'-I/usr/include ':g" \
-			-i ddi/compddi || die "Enabling mpi build failed"
-		sed -e "s:MSG_LIBRARIES='../ddi/libddi.a -lpthread':MSG_LIBRARIES='../ddi/libddi.a -lmpi -lpthread':g" \
-			-i lked || die "Enabling mpi build failed"
-	fi
-
-	# enable NEO
-	if use neo; then
-		sed -e "s:NEO=false:NEO=true:" -i compall lked || \
-			die "Failed to enable NEO code"
-	else
-		sed -e "s:NEO=true:NEO=false:" -i compall lked || \
-			die "Failed to disable NEO code"
-	fi
-	# enable GAMESS-qmmm
-	if use qmmm-tinker; then
-		epatch "${FILESDIR}/${PN}-qmmm-tinker-fix-idate.patch"
-		sed -e "s:TINKER=false:TINKER=true:" -i compall lked || \
-			die "Failed to enable TINKER code"
-		if [ "x$QMMM_GAMESS_MAXMM" == "x" ]; then
-			einfo "No QMMM_GAMESS_MAXMM set. Using default value = 1000"
-		else
-			einfo "Setting QMMM_GAMESS_MAXMM to $QMMM_GAMESS_MAXMM"
-			sed -e "s:maxatm=1000:maxatm=$QMMM_GAMESS_MAXMM:g" \
-			 -i tinker/sizes.i \
-			 || die "Setting QMMM_GAMESS_MAXMM failed"
-			sed -e "s:MAXATM=1000:MAXATM=$QMMM_GAMESS_MAXMM:g" \
-			 -i source/inputb.src \
-			 || die "Setting QMMM_GAMESS_MAXMM failed"
-		fi
-		if [ "x$QMMM_GAMESS_MAXCLASS" == "x" ]; then
-			einfo "No QMMM_GAMESS_MAXMM set. Using default value = 250"
-		else
-			sed -e "s:maxclass=250:maxclass=$QMMM_GAMESS_MAXCLASS:g" \
-				-i tinker/sizes.i \
-				|| die "Setting QMMM_GAMESS_MAXCLASS failed"
-		fi
-		if [ "x$QMMM_GAMESS_MAXCTYP" == "x" ]; then
-			einfo "No QMMM_GAMESS_MAXCTYP set. Using default value = 500"
-		else
-			sed -e "s:maxtyp=500:maxtyp=$QMMM_GAMESS_MAXCTYP:g" \
-				-i tinker/sizes.i \
-				|| die "Setting QMMM_GAMESS_MAXCTYP failed"
-		fi
-		if [ "x$QMMM_GAMESS_MAXHESS" == "x" ]; then
-			einfo "No QMMM_GAMESS_MAXHESS set. Usingdefault value = 1000000"
-		else
-			sed -e "s:maxhess=1000000:maxhess=$QMMM_GAMESS_MAXHESS:g" \
-				-i tinker/sizes.i \
-				|| die "Setting QMMM_GAMESS_MAXHESS failed"
-		fi
-	fi
-	# greate proper activate sourcefile
-	cp "./tools/actvte.code" "./tools/actvte.f" || \
-		die "Failed to create actvte.f"
-	sed -e "s/^\*UNX/    /" -i "./tools/actvte.f" || \
-		die "Failed to perform UNX substitutions in actvte.f"
-
-	# fix GAMESS' compall script to use proper CC
-	sed -e "s|\$CCOMP -c \$extraflags source/zunix.c|$(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 [[ ${FCOMP} == "ifort" ]]; then
-		sed -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS} -quiet'/" \
-			-i comp || die "Failed setting up comp script"
-	elif ! use x86; then
-		sed -e "s/-malign-double //" \
-			-e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS}'/" \
-			-i comp || die "Failed setting up comp script"
-	else
-		sed -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS}'/" \
-			-i comp || die "Failed setting up comp script"
-	fi
-
-	# fix up GAMESS' linker script;
-	sed -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)'/" \
-		-i ddi/compddi || die "Failed setting up compddi script"
-	# Creating install.info
-	cat > install.info <<-EOF
-	#!/bin/csh
-	setenv GMS_PATH $WORKDIR/gamess
-	setenv GMS_TARGET $active_arch
-	setenv GMS_FORTRAN $FCOMP
-	setenv GMS_MATHLIB atlas
-	setenv GMS_MATHLIB_PATH  /usr/$(get_libdir)/atlas
-	setenv GMS_DDI_COMM sockets
-	EOF
-
-}
-
-src_compile() {
-	# build actvte
-	cd "${S}"/tools
-	${FCOMP} -o actvte.x actvte.f || \
-		die "Failed to compile actvte.x"
-
-	# for hardened (PAX) users and ifc we need to turn
-	# MPROTECT off
-	if [[ ${FCOMP} == "ifort" ]] && use pax_kernel; then
-		pax-mark -PemRxS actvte.x
-	fi
-
-	# build gamess
-	cd "${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 [[ ${FCOMP} == "ifort" ]] && use pax_kernel; then
-		pax-mark -PemRxS ${PN}.00.x
-	fi
-}
-
-src_install() {
-	# the executables
-	dobin ${PN}.00.x rungms \
-		|| die "Failed installing binaries"
-	if use !mpi; then
-		dobin ddi/ddikick.x \
-			|| die "Failed installing binaries"
-	fi
-
-	# the docs
-	dodoc *.DOC qmnuc/*.DOC || die "Failed installing docs"
-
-	# install ericftm
-	insinto /usr/share/${PN}
-	doins auxdata/ericfmt.dat || die "Failed installing ericfmt.dat"
-
-	# install mcpdata
-	insinto /usr/share/${PN}/MCP
-	doins auxdata/MCP/* || die "Failed installing MCP"
-
-	# install BASES
-	insinto /usr/share/${PN}/BASES
-	doins auxdata/BASES/* || die "Failed installing BASES"
-
-	# install QUANPOL
-	insinto /usr/share/${PN}/QUANPOL
-	doins auxdata/QUANPOL/* || die "Failed installing QUANPOL"
-
-	# install tinker params in case of qmmm
-	if use qmmm-tinker ; then
-			dodoc tinker/simomm.doc || die "Failed installing docs"
-			insinto /usr/share/${PN}
-			doins -r tinker/params51 || die "Failed to install Tinker params"
-	fi
-
-	# 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 [[ ${FCOMP} == "ifort" ]]; 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/metadata.xml b/sci-chemistry/gamess/metadata.xml
deleted file mode 100644
index f255ea09217..00000000000
--- a/sci-chemistry/gamess/metadata.xml
+++ /dev/null
@@ -1,17 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
-  <maintainer type="person">
-    <email>alexxy@gentoo.org</email>
-    <name>Alexey Shvetsov</name>
-  </maintainer>
-  <maintainer type="project">
-    <email>sci-chemistry@gentoo.org</email>
-    <name>Gentoo Chemistry Project</name>
-  </maintainer>
-  <use>
-    <flag name="neo">Enable NEO for nuclear basis support</flag>
-    <flag name="pax_kernel">Make this package work on PAX kernels</flag>
-    <flag name="qmmm-tinker">Enable tinker qmmm code</flag>
-  </use>
-</pkgmetadata>