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authorje_fro <je_fro@32389bae-6d03-0410-99cf-db05cde120eb>2007-06-27 19:57:13 +0000
committerje_fro <je_fro@32389bae-6d03-0410-99cf-db05cde120eb>2007-06-27 19:57:13 +0000
commit90761a9db4864883b03249392b54b3db1ec319ac (patch)
tree4fe379b393cfeeccc9c74481e265d2c763f328d9 /sci-chemistry/gromacs
parentRemoved apbs, as it made it into portage and was causing confusion. (diff)
downloadsci-90761a9db4864883b03249392b54b3db1ec319ac.tar.gz
sci-90761a9db4864883b03249392b54b3db1ec319ac.tar.bz2
sci-90761a9db4864883b03249392b54b3db1ec319ac.zip
Removing as it's now in the tree.
git-svn-id: http://overlays.gentoo.org/svn/proj/science/overlay@657 32389bae-6d03-0410-99cf-db05cde120eb
Diffstat (limited to 'sci-chemistry/gromacs')
-rw-r--r--sci-chemistry/gromacs/ChangeLog141
-rw-r--r--sci-chemistry/gromacs/Manifest24
-rw-r--r--sci-chemistry/gromacs/files/digest-gromacs-3.3.1-r13
-rw-r--r--sci-chemistry/gromacs/files/gromacs-alpha-axp_asm.patch11
-rw-r--r--sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch18
-rw-r--r--sci-chemistry/gromacs/gromacs-3.3.1-r1.ebuild216
-rw-r--r--sci-chemistry/gromacs/metadata.xml5
7 files changed, 0 insertions, 418 deletions
diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
deleted file mode 100644
index 5acc3552d..000000000
--- a/sci-chemistry/gromacs/ChangeLog
+++ /dev/null
@@ -1,141 +0,0 @@
-# ChangeLog for sci-chemistry/gromacs
-# Copyright 2002-2007 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.18 2007/02/24 19:06:05 armin76 Exp $
-
- 24 Feb 2007; Raúl Porcel <armin76@gentoo.org> gromacs-3.3.1-r1.ebuild:
- x86 stable wrt bug 168182
-
- 23 Feb 2007; Markus Rothe <corsair@gentoo.org> gromacs-3.3.1-r1.ebuild:
- Stable on ppc64; bug #168182
-
- 07 Jan 2007; Danny van Dyk <kugelfang@gentoo.org> -gromacs-3.2.1.ebuild,
- -gromacs-3.3.ebuild, -gromacs-3.3.1.ebuild:
- QA: Removed unused versions.
-
- 20 Dec 2006; Jeff Gardner <je_fro@gentoo.org> gromacs-3.3.1-r1.ebuild:
- Small fix of DEPEND
-
- 20 Dec 2006; Jeff Gardner <je_fro@gentoo.org> ChangeLog:
- Many thanks to Rene Meier, Shvetsov Alexey Mathias Weigt, dawe, and Mike
- Hlavac for their contributions to gromacs-3.3.1-r1.
-
-*gromacs-3.3.1-r1 (17 Dec 2006)
-
- 17 Dec 2006; Jeff Gardner <je_fro@gentoo.org> +gromacs-3.3.1-r1.ebuild:
- Fixup to address bugs 135146 118421 and 147614.
-
- 20 Sep 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
- (#148281) Change herd to sci-chemistry from sci.
-
-*gromacs-3.3.1 (08 Aug 2006)
-
- 08 Aug 2006; Markus Dittrich <markusle@gentoo.org> +gromacs-3.3.1.ebuild:
- Version bump. Ebuild now inherits the fortran.eclass and forces
- the use of g77 since gfortran is presently missing some of the
- fortran intrinsics needed by gromacs. See bug #141672.
-
- 05 Aug 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
- Remove myself as maintainer, anyone feel free to work on this, although I'll
- continue to do so as well.
-
- 07 Jul 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
- Update to my new email address.
-
- 25 Jun 2006; Donnie Berkholz <dberkholz@gentoo.org>; gromacs-3.2.1.ebuild,
- gromacs-3.2.1-r1.ebuild, gromacs-3.3.ebuild:
- (#116346) Change xml2 USE flag to xml.
-
- 07 May 2006; Markus Rothe <corsair@gentoo.org> gromacs-3.2.1-r1.ebuild:
- Stable on ppc64; bug #89969
-
-*gromacs-3.3 (14 Oct 2005)
-
- 14 Oct 2005; Donnie Berkholz <dberkholz@gentoo.org>; +gromacs-3.3.ebuild:
- (#109184) Bump. Main change in ebuild is adding a check for fftw built w/
- mpi if trying to build w/ mpi. One of the more interesting upstream changes
- is the addition of x86-64 and ia64 assembly.
-
- 05 Aug 2005; <omkhar@gentoo.org> +files/gromacs-ppc64-altivec.patch,
- gromacs-3.2.1-r1.ebuild:
- Added patch back as binary due to metatags. Made sure patch only applies when ppc64 && altivec
-
-*gromacs-3.2.1-r1 (04 Aug 2005)
-
- 04 Aug 2005; <omkhar@gentoo.org> +files/gromacs-ppc64-altivec.patch,
- +gromacs-3.2.1-r1.ebuild:
- Added ppc64 support and altivec support
-
- 24 Dec 2004; Olivier Fisette <ribosome@gentoo.org> +metadata.xml,
- +gromacs-3.2.1.ebuild:
- Moved from app-sci/gromacs to sci-chemistry/gromacs.
-
- 06 Jun 2004; Danny van Dyk <kugelfang@gentoo.org> gromacs-3.2.1.ebuild:
- Marked stable on amd64.
-
- 22 Apr 2004; Donnie Berkholz <dberkholz@gentoo.org>;
- -files/gromacs-3.2-all-static-fix.patch, -gromacs-3.1.4-r1.ebuild,
- -gromacs-3.1.4-r2.ebuild, gromacs-3.2.1.ebuild, -gromacs-3.2.ebuild:
- Mark 3.2.1 stable on x86. Remove old versions.
-
- 22 Apr 2004; Donnie Berkholz <dberkholz@gentoo.org>;
- gromacs-3.1.4-r1.ebuild, gromacs-3.2.1.ebuild:
- Add app-shells/tcsh to dependencies (#48691).
-
- 22 Apr 2004; Danny van Dyk <kugelfang@gentoo.org> gromacs-3.2.1.ebuild:
- marked ~amd64
-
-*gromacs-3.2.1 (02 Apr 2004)
-
- 02 Apr 2004; Donnie Berkholz <dberkholz@gentoo.org>; gromacs-3.2.1.ebuild:
- Version bump, closes #44377.
-
-*gromacs-3.2 (29 Feb 2004)
-
- 29 Feb 2004; Donnie Berkholz <dberkholz@gentoo.org>; gromacs-3.2.ebuild,
- files/gromacs-3.2-all-static-fix.patch:
- Version bump. New xml2 USE flag.
-
-*gromacs-3.1.4-r2 (28 Feb 2004)
-
- 28 Feb 2004; Donnie Berkholz <dberkholz@gentoo.org>;
- gromacs-3.1.4-r2.ebuild:
- Closing bug #42989 by installing binaries to /usr/bin. Also discovered libs
- needed to be installed to /usr/lib. Enabled assembly for Alphas too, if any
- Alpha user ever tries this.
-
- 04 Oct 2003; Donnie Berkholz <dberkholz@gentoo.org>; gromacs-3.1.3.ebuild,
- gromacs-3.1.4.ebuild:
- Pulling old versions.
-
- 04 Oct 2003; Donnie Berkholz <dberkholz@gentoo.org>;
- gromacs-3.1.4-r1.ebuild:
- Fixing fftw dep. Won't compile against fftw-3 yet, in part because it looks
- for fftw3.h instead of fftw.h, and in part because MPI doesn't work in fftw-3
- yet.
-
-*gromacs-3.1.4-r1 (23 Mar 2003)
-
- 23 Mar 2003; George Shapovalov <george@gentoo.org> gromacs-3.1.4-r1.ebuild :
- added mpi support, lam-mpi is the only working implementation at the moment.
- !IMPORTANT!:
- Since portage cannot at present check whether optional dependencies of dependencies were turned on,
- please check yourself that gromacs and fftw have identical mpi setting.
- Generally USE="mpi" emerge gromacs should work fine if you did not install fftw previously (with
- different mpi off for example).
-
-*gromacs-3.1.4 (08 Nov 2002)
-
- 08 Nov 2002; George Shapovalov <george@gentoo.org> gromacs-3.1.4.ebuild, files/digest-gromacs-3.1.4 :
-
- new version.
- !!!IMPORTANT!!!
- I changed --prefix to point to /usr for FHS compliance.
- Now the binaries and the libs are getting installed into
- /usr/i686-pc-linux-gnu/{bin,lib} correspondingly and the data into /usr/share/gromacs-${PV}
- This seems to fit well in the existing direcory structure and does not conflict with gcc.
-
-*gromacs-3.1.3 (27 Apr 2002)
-
- 27 Apr 2002; George Shapovalov <george@gentoo.org> all_files :
-
- initial release.
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
deleted file mode 100644
index 8e00210ca..000000000
--- a/sci-chemistry/gromacs/Manifest
+++ /dev/null
@@ -1,24 +0,0 @@
-AUX gromacs-alpha-axp_asm.patch 613 RMD160 56a617d34b9aa96f71cb84124271107d56557773 SHA1 96518a8fa20c0d597b5cb26b843f28f26d998942 SHA256 d6ae7d258e975a0c12a8b09bef11874eb0e25d4708f299b3e265c97ada69afee
-MD5 aa14e5e53e2eb5409072fd53896b4578 files/gromacs-alpha-axp_asm.patch 613
-RMD160 56a617d34b9aa96f71cb84124271107d56557773 files/gromacs-alpha-axp_asm.patch 613
-SHA256 d6ae7d258e975a0c12a8b09bef11874eb0e25d4708f299b3e265c97ada69afee files/gromacs-alpha-axp_asm.patch 613
-AUX gromacs-ppc64-altivec.patch 571 RMD160 e6bdccd29a29fb9ee85f0ca4a15f2ea229b6f52a SHA1 fe059c262d4fdbc9b918769dc88dd8a2ed177b6b SHA256 1e60a3a12cfd706af1860ca2ff36074291540f8ffa3616636eb612037f0611c3
-MD5 46d715de402fc04d726086455ba7f074 files/gromacs-ppc64-altivec.patch 571
-RMD160 e6bdccd29a29fb9ee85f0ca4a15f2ea229b6f52a files/gromacs-ppc64-altivec.patch 571
-SHA256 1e60a3a12cfd706af1860ca2ff36074291540f8ffa3616636eb612037f0611c3 files/gromacs-ppc64-altivec.patch 571
-DIST gromacs-3.3.1.tar.gz 7992897 RMD160 48e6f9098ac4f5b834f4beb050846c60aea18fff SHA1 8c67ee772cadf93067b3c8bcec65d7b3520df1dc SHA256 3df40151ff5364fab1c4d8692ec247d8245437e954882a803178cbe6b812d81f
-EBUILD gromacs-3.3.1-r1.ebuild 5719 RMD160 645e9c315001f49500d44d6cb45034817ed9a682 SHA1 df42be88298a543b5d99c345d4adbfeb4402e7d8 SHA256 8e797f4973fdde984a0cccc83f11d2fe4d5dc641ebc7af85153a4a66b323f4dc
-MD5 1e06992c5aa5a4b1df44c36c76359608 gromacs-3.3.1-r1.ebuild 5719
-RMD160 645e9c315001f49500d44d6cb45034817ed9a682 gromacs-3.3.1-r1.ebuild 5719
-SHA256 8e797f4973fdde984a0cccc83f11d2fe4d5dc641ebc7af85153a4a66b323f4dc gromacs-3.3.1-r1.ebuild 5719
-MISC ChangeLog 5512 RMD160 ab730049dbcc0d5975997975203d3fb6d1f08db9 SHA1 a892d21ea57c04a5ff8866e8413bbb32f88480a3 SHA256 09f9e040fd8ad3529a4df9e177db8523a408bb618d829616d047a192578cc6b0
-MD5 9a1746c3ba42b31e8c478b0d6c8c86d8 ChangeLog 5512
-RMD160 ab730049dbcc0d5975997975203d3fb6d1f08db9 ChangeLog 5512
-SHA256 09f9e040fd8ad3529a4df9e177db8523a408bb618d829616d047a192578cc6b0 ChangeLog 5512
-MISC metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 SHA1 cb0b513473c0348f4f6f6cd9a132e4884155fddb SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852
-MD5 43628e9f5743b5c3b018a82669a76bc7 metadata.xml 166
-RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 metadata.xml 166
-SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852 metadata.xml 166
-MD5 0ad487900dfecda21c7258f45d995525 files/digest-gromacs-3.3.1-r1 244
-RMD160 427f90b98362a786e7d5fca69d9069742b943ebf files/digest-gromacs-3.3.1-r1 244
-SHA256 2eaa348fdc15b37c1fb15fb5394f6a26578c22bfd21ea4e719ba6308bbab40fc files/digest-gromacs-3.3.1-r1 244
diff --git a/sci-chemistry/gromacs/files/digest-gromacs-3.3.1-r1 b/sci-chemistry/gromacs/files/digest-gromacs-3.3.1-r1
deleted file mode 100644
index dc4a56cb4..000000000
--- a/sci-chemistry/gromacs/files/digest-gromacs-3.3.1-r1
+++ /dev/null
@@ -1,3 +0,0 @@
-MD5 1af34a99950813ca7cf893253c447cd1 gromacs-3.3.1.tar.gz 7992897
-RMD160 48e6f9098ac4f5b834f4beb050846c60aea18fff gromacs-3.3.1.tar.gz 7992897
-SHA256 3df40151ff5364fab1c4d8692ec247d8245437e954882a803178cbe6b812d81f gromacs-3.3.1.tar.gz 7992897
diff --git a/sci-chemistry/gromacs/files/gromacs-alpha-axp_asm.patch b/sci-chemistry/gromacs/files/gromacs-alpha-axp_asm.patch
deleted file mode 100644
index 071b11f4b..000000000
--- a/sci-chemistry/gromacs/files/gromacs-alpha-axp_asm.patch
+++ /dev/null
@@ -1,11 +0,0 @@
-diff -Naur gromacs-3.2.1/src/gmxlib/Makefile.in gromacs-3.2.1-new/src/gmxlib/Makefile.in
---- gromacs-3.2.1/src/gmxlib/Makefile.in 2004-03-01 20:49:02.000000000 +0100
-+++ gromacs-3.2.1-new/src/gmxlib/Makefile.in 2006-05-30 17:40:33.000000000 +0200
-@@ -301,6 +301,7 @@
- LTF77COMPILE = $(LIBTOOL) --mode=compile $(F77) $(AM_FFLAGS) $(FFLAGS)
- F77LD = $(F77)
- CCASCOMPILE = $(CCAS) $(AM_CCASFLAGS) $(CCASFLAGS)
-+LTASCOMPILE = $(LIBTOOL) --mode=compile $(AS) $(AM_ASFLAGS) $(ASFLAGS)
- LTCCASCOMPILE = $(LIBTOOL) --mode=compile $(CCAS) $(AM_CCASFLAGS) \
- $(CCASFLAGS)
- DIST_SOURCES = $(libgmx@LIBSUFFIX@_la_SOURCES) \
diff --git a/sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch b/sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch
deleted file mode 100644
index d170bbd70..000000000
--- a/sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch
+++ /dev/null
@@ -1,18 +0,0 @@
-diff -Naur gromacs-3.2.1/include/ppc_altivec.h gromacs-3.2.1-new/include/ppc_altivec.h
---- gromacs-3.2.1/include/ppc_altivec.h 2003-11-18 02:41:58.000000000 -0600
-+++ gromacs-3.2.1-new/include/ppc_altivec.h 2005-08-04 13:42:05.000000000 -0500
-@@ -33,6 +33,14 @@
- #ifndef _ppc_altivec_h
- #define _ppc_altivec_h
-
-+#if !defined(__APPLE_ALTIVEC__)
-+#include <altivec.h>
-+#ifdef bool
-+#undef bool
-+#define bool int
-+#endif
-+#endif
-+
- static char *SRCID_ppc_altivec_h = "$Id: ppc_altivec.h,v 1.7 2003/11/18 08:41:58 lindahl Exp $";
- #ifdef HAVE_CONFIG_H
- #include <config.h>
diff --git a/sci-chemistry/gromacs/gromacs-3.3.1-r1.ebuild b/sci-chemistry/gromacs/gromacs-3.3.1-r1.ebuild
deleted file mode 100644
index 601eb4555..000000000
--- a/sci-chemistry/gromacs/gromacs-3.3.1-r1.ebuild
+++ /dev/null
@@ -1,216 +0,0 @@
-# Copyright 1999-2007 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.1-r1.ebuild,v 1.4 2007/02/24 19:06:05 armin76 Exp $
-
-inherit eutils fortran multilib
-
-IUSE="3dnow X altivec double-precision mpi sse sse2"
-
-# mopac7 qm/mm is broken until we can get files from
-# http://md.chem.rug.nl/~groenhof/qmmm.html
-# or somewhere else...
-
-DESCRIPTION="The ultimate molecular dynamics simulation package"
-SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz"
-HOMEPAGE="http://www.gromacs.org/"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~alpha ~amd64 ppc64 ~sparc x86"
-
-DEPEND=">=sci-libs/fftw-3.0.1
- mpi? ( virtual/mpi )
- >=sys-devel/binutils-2.12
- app-shells/tcsh
- X? ( x11-libs/libX11
- x11-libs/libXt
- x11-libs/libXp
- x11-libs/libXext
- x11-proto/xproto
- virtual/motif )"
-
-src_unpack() {
-
- unpack ${A}
- if use ppc64 && use altivec ; then
- epatch "${FILESDIR}"/${PN}-ppc64-altivec.patch
- fi
-
- if use alpha ; then
- epatch ${FILESDIR}/${PN}-alpha-axp_asm.patch
- fi
-
- cd "${S}"
-
-# Fix a typo in a couple of files.
- sed -e "s:_nb_kerne010_x86_64_sse2:_nb_kernel010_x86_64_sse2:" \
- -i src/gmxlib/nonbonded/nb_kernel_x86_64_sse2/nb_kernel010_x86_64_sse2.intel_syntax.s \
- -i src/gmxlib/nonbonded/nb_kernel_x86_64_sse2/nb_kernel010_x86_64_sse2.s \
- || die "Failed to fix sse2 typo."
-
- sed -e "s:+0f:-f:" -i share/tutor/gmxdemo/demo \
- || die "Failed to fixup demo script."
-
-# Fix a sandbox violation that occurs when re-emerging with mpi.
- sed "/libdir=\"\$(libdir)\"/ a\ temp_libdir=\"${D}usr/$( get_libdir )\" ; \\\\" \
- -i src/tools/Makefile.am \
- || die "sed tools/Makefile.am failed"
-
- sed -e "s:\$\$libdir:\$temp_libdir:" \
- -i src/tools/Makefile.am \
- || die "sed tools/Makefile.am failed"
-
- cd "${WORKDIR}" && mv ${P} ${P}-single ;
-
- use double-precision && cp -prP ${P}-single ${P}-double ;
-
- if use mpi ; then
- cp -prP ${P}-single ${P}-single-mpi
- use double-precision && cp -prP ${P}-double ${P}-double-mpi
- fi
-}
-
-src_compile() {
- # static should work but something's broken.
- # gcc spec file may be screwed up.
- # Static linking should try -lgcc instead of -lgcc_s.
- # For more info:
- # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html
-
-# We will compile single precision by default, and suffix double-precision with _d.
-# Sparc is the only arch I can test on that needs to use fortran.
-local myconf ;
-
-case "${ARCH}" in
-
- x86)
- myconf="$myconf $(use_enable sse ia32-sse)"
- myconf="$myconf $(use_enable sse2 ia32-sse)"
- myconf="$myconf $(use_enable 3dnow ia32-3dnow)"
-
-# If you don't enable at least one of the above, you must use g77, not gfortran.
- if ! use sse && ! use sse2 && ! use 3dnow ; then
-
- if ! has_version "=sys-devel/gcc-3*" ; then
- die "If you must run gromacs without sse (not recommended) gfortran will not work."
- else myconf="$myconf --enable-fortran" && fortran_pkg_setup
-
- fi
- fi
- ;;
-
- amd64)
- myconf="$myconf --enable-x86-64-sse"
- ;;
-
- ppc)
- if use altivec ; then
- myconf="$myconf --enable-ppc-altivec --disable-fortran"
- else
- if ! has_version "=sys-devel/gcc-3*" ; then
-
- die "If you must run gromacs without sse (not recommended) gfortran will not work."
- fi
- myconf="$myconf --enable-fortran" && fortran_pkg_setup
- fi
- ;;
-
- ppc64)
- if use altivec ; then
- myconf="$myconf --enable-ppc-altivec --disable-fortran"
- else
- if ! has_version "=sys-devel/gcc-3*" ; then
- die "If you must run gromacs without sse (not recommended) gfortran will not work."
- fi
- myconf="$myconf --enable-fortran" && fortran_pkg_setup
- fi
- ;;
-
- sparc)
- if ! has_version "=sys-devel/gcc-3*" ; then
-
- die "If you must run gromacs without sse (not recommended) gfortran will not work."
- else
- myconf="$myconf --enable-fortran" && fortran_pkg_setup
- fi
- ;;
-
- ia64)
- myconf="$myconf --enable-ia64-asm"
- ;;
-
- alpha)
- myconf="$myconf --enable-axp-asm"
- ;;
-
-esac
-
-myconf="--enable-shared \
- --datadir=/usr/share \
- --bindir=/usr/bin \
- --libdir=/usr/$(get_libdir) \
- --with-fft=fftw3 \
- $(use_with X x) \
- ${myconf}"
-
-# $(use_with mopac7 qmmm-mopac) \
-
-cd "${WORKDIR}"/${P}-single
- econf ${myconf} --enable-float || die "configure single-precision failed"
-
- emake || die "emake single failed"
-
- if use mpi ; then
- cd "${WORKDIR}"/${P}-single-mpi
- econf ${myconf} --enable-float --enable-mpi --program-suffix=_mpi \
- || die "failed to configure single-mpi mdrun"
- emake mdrun || die "failed to make single-precision mpi mdrun" ;
- fi
-
- if use double-precision ; then
- cd "${WORKDIR}"/${P}-double
-
- econf ${myconf} --enable-double --program-suffix=_d \
- || die "configure double-precision failed"
-
- emake || die "emake double failed"
-
- if use mpi ; then
- cd "${WORKDIR}"/${P}-double-mpi
- econf ${myconf} --enable-double --enable-mpi --program-suffix=_mpi_d \
- || die "failed to configure double-mpi mdrun" ;
-
- emake mdrun \
- || die "failed to make double-precision mpi mdrun" ;
- fi
- fi
-
-}
-
-src_install () {
- cd ${WORKDIR}/${P}-single ;
- emake DESTDIR=${D} install || die "installing single failed"
-
- if use mpi ; then
- cd "${WORKDIR}"/${P}-single-mpi
- emake DESTDIR=${D} install-mdrun \
- || die "installing mdrun_mpi failed"
- fi
-
- if use double-precision ; then
- cd ${WORKDIR}/${P}-double && emake DESTDIR=${D} install \
- || die "installing double failed"
-
- if use mpi ; then
- cd "${WORKDIR}"/${P}-double-mpi
- emake DESTDIR=${D} install-mdrun \
- || die "installing mdrun_mpi_d failed"
- fi
-
- fi
-
- dodoc AUTHORS INSTALL README
-
- # Move html and leave examples and templates under /usr/share/gromacs.
- mv "${D}"/usr/share/"${PN}"/html "${D}"/usr/share/doc/"${PF}"/
-}
diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml
deleted file mode 100644
index 9ac9ffdb3..000000000
--- a/sci-chemistry/gromacs/metadata.xml
+++ /dev/null
@@ -1,5 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
-<herd>sci-chemistry</herd>
-</pkgmetadata>