diff options
Diffstat (limited to 'app-sci')
| -rw-r--r-- | app-sci/gromacs/files/digest-gromacs-3.1.4-r1 | 1 | ||||
| -rw-r--r-- | app-sci/gromacs/gromacs-3.1.4-r1.ebuild | 45 | ||||
| -rw-r--r-- | app-sci/gromacs/gromacs-3.1.4.ebuild | 4 |
3 files changed, 48 insertions, 2 deletions
diff --git a/app-sci/gromacs/files/digest-gromacs-3.1.4-r1 b/app-sci/gromacs/files/digest-gromacs-3.1.4-r1 new file mode 100644 index 000000000000..7f41e1fba1e3 --- /dev/null +++ b/app-sci/gromacs/files/digest-gromacs-3.1.4-r1 @@ -0,0 +1 @@ +MD5 835247417207a9852583a78f835a7da2 gromacs-3.1.4.tar.gz 2713384 diff --git a/app-sci/gromacs/gromacs-3.1.4-r1.ebuild b/app-sci/gromacs/gromacs-3.1.4-r1.ebuild new file mode 100644 index 000000000000..93c744f2a259 --- /dev/null +++ b/app-sci/gromacs/gromacs-3.1.4-r1.ebuild @@ -0,0 +1,45 @@ +# Copyright 1999-2003 Gentoo Technologies, Inc. +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/gromacs-3.1.4-r1.ebuild,v 1.1 2003/03/25 09:51:20 george Exp $ + +IUSE="mpi" + +DESCRIPTION="The ultimate Molecular Dynamics simulation package" +SRC_URI="ftp://ftp.gromacs.org/pub/gromacs/${P}.tar.gz" +HOMEPAGE="http://www.gromacs.org/" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~x86" + +#mpi is a local USE flag now +#May become official when situation with mpich is cleared (now the only mpi implementation awailable is lam-mpi) +DEPEND=">=dev-libs/fftw-2.1.3 + mpi? ( >=dev-libs/lam-mpi-6.5.6 ) + >=sys-devel/binutils-2.10.91.0.2" + + +src_compile() { +#!!!Please note!!! +#for troublesome work gromacs should be compiled with the same mpi setting as fftw. +#Unfortunately portage cannot trace optional dependencies of dependencies at present. +#Until this (planned) feature is completed, please try to do corresponding check yourself. + local myconf="" + use mpi && myconf="${myconf} --enable-mpi" + + econf \ + --enable-fortran \ + --datadir=/usr/share/${P} ${myconf} || die "./configure failed" + emake || die +} + +src_install () { + make DESTDIR=${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} +} diff --git a/app-sci/gromacs/gromacs-3.1.4.ebuild b/app-sci/gromacs/gromacs-3.1.4.ebuild index e2dc15a3afc0..5d5d1cb0adc8 100644 --- a/app-sci/gromacs/gromacs-3.1.4.ebuild +++ b/app-sci/gromacs/gromacs-3.1.4.ebuild @@ -1,6 +1,6 @@ # Copyright 1999-2003 Gentoo Technologies, Inc. # Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/gromacs-3.1.4.ebuild,v 1.2 2003/02/13 09:22:09 vapier Exp $ +# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/gromacs-3.1.4.ebuild,v 1.3 2003/03/25 09:51:20 george Exp $ IUSE="" @@ -10,7 +10,7 @@ HOMEPAGE="http://www.gromacs.org/" LICENSE="GPL-2" SLOT="0" -KEYWORDS="~x86" +KEYWORDS="x86" DEPEND=">=dev-libs/fftw-2.1.3 >=sys-devel/binutils-2.10.91.0.2" |