+++ /dev/null
-# ChangeLog for app-sci/gromacs
-# Copyright 2002-2004 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/ChangeLog,v 1.14 2004/06/24 22:02:11 agriffis Exp $
-
- 06 Jun 2004; Danny van Dyk <kugelfang@gentoo.org> gromacs-3.2.1.ebuild:
- Marked stable on amd64.
-
- 22 Apr 2004; Donnie Berkholz <spyderous@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 <spyderous@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 <spyderous@gentoo.org>; gromacs-3.2.1.ebuild:
- Version bump, closes #44377.
-
-*gromacs-3.2 (29 Feb 2004)
-
- 29 Feb 2004; Donnie Berkholz <spyderous@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 <spyderous@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 <spyderous@gentoo.org>; gromacs-3.1.3.ebuild,
- gromacs-3.1.4.ebuild:
- Pulling old versions.
-
- 04 Oct 2003; Donnie Berkholz <spyderous@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.
+++ /dev/null
-# Copyright 1999-2004 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/gromacs-3.2.1.ebuild,v 1.6 2004/06/24 22:02:11 agriffis Exp $
-
-inherit eutils
-
-IUSE="mpi xml2"
-
-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="x86 amd64"
-
-#mpi is a local USE flag now
-#May become official when situation with mpich is cleared (now the only mpi implementation awailable is lam-mpi)
-DEPEND="=dev-libs/fftw-2.1*
- mpi? ( >=sys-cluster/lam-mpi-6.5.6 )
- >=sys-devel/binutils-2.10.91.0.2
- app-shells/tcsh
- xml2? ( dev-libs/libxml2 )"
-
-src_compile() {
-#!!!Please note!!!
-#for troublesome work gromacs should be compiled with the same mpi setting as fftw.
-#Unfortunately portage cannot trace optional dependencies of dependencies at present.
-#Until this (planned) feature is completed, please try to do corresponding check yourself.
- local myconf
-
- # Enable asm on Alphas
- if [ "${ARCH}" = "alpha" ]
- then
- myconf="${myconf} --enable-axp-asm"
- fi
-
- # 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
- econf \
- --enable-fortran \
- --datadir=/usr/share/${P} \
- --bindir=/usr/bin \
- --libdir=/usr/lib \
- `use_with xml2 xml` \
- `use_enable mpi` \
- ${myconf} || die "configure failed"
-
- # `use_enable static all-static` \
-
- emake || die
-}
-
-src_install () {
- make DESTDIR=${D} install || die
-
- # Install documentation.
- dodoc AUTHORS COPYING INSTALL README
-
- #move html docs under /usr/share/doc
- #and leave examples and templates under /usr/gromacs...
- mv ${D}/usr/share/${P}/html ${D}/usr/share/doc/${PF}
-}
projects / gentoo.git / commitdiff