diff options
Diffstat (limited to 'sci-chemistry/molden')
| -rw-r--r-- | sci-chemistry/molden/ChangeLog | 9 | ||||
| -rw-r--r-- | sci-chemistry/molden/files/digest-molden-4.3 | 1 | ||||
| -rw-r--r-- | sci-chemistry/molden/molden-4.3.ebuild | 70 |
3 files changed, 78 insertions, 2 deletions
diff --git a/sci-chemistry/molden/ChangeLog b/sci-chemistry/molden/ChangeLog index eb71480617b9..3792ab78f457 100644 --- a/sci-chemistry/molden/ChangeLog +++ b/sci-chemistry/molden/ChangeLog @@ -1,6 +1,11 @@ # ChangeLog for sci-chemistry/molden -# Copyright 2000-2004 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/ChangeLog,v 1.3 2004/12/29 21:29:50 ciaranm Exp $ +# Copyright 2000-2005 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/ChangeLog,v 1.4 2005/02/05 21:17:41 spyderous Exp $ + +*molden-4.3 (05 Feb 2005) + + 05 Feb 2005; Donnie Berkholz <spyderous@gentoo.org>; +molden-4.3.ebuild: + (#79047) New version, supports gromacs file format and some other stuff. 29 Dec 2004; Ciaran McCreesh <ciaranm@gentoo.org> : Change encoding to UTF-8 for GLEP 31 compliance diff --git a/sci-chemistry/molden/files/digest-molden-4.3 b/sci-chemistry/molden/files/digest-molden-4.3 new file mode 100644 index 000000000000..227b171d48c7 --- /dev/null +++ b/sci-chemistry/molden/files/digest-molden-4.3 @@ -0,0 +1 @@ +MD5 12542915523bd24ea2177d07508685ca molden4.3.tar.Z 3334599 diff --git a/sci-chemistry/molden/molden-4.3.ebuild b/sci-chemistry/molden/molden-4.3.ebuild new file mode 100644 index 000000000000..9434e3e6deae --- /dev/null +++ b/sci-chemistry/molden/molden-4.3.ebuild @@ -0,0 +1,70 @@ +# Copyright 1999-2005 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/molden-4.3.ebuild,v 1.1 2005/02/05 21:17:41 spyderous Exp $ + +inherit eutils toolchain-funcs flag-o-matic + +MY_P="${PN}${PV}" +DESCRIPTION="Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac." +HOMEPAGE="http://www.cmbi.kun.nl/~schaft/molden/molden.html" +SRC_URI="ftp://ftp.cmbi.kun.nl/pub/molgraph/${PN}/${MY_P}.tar.Z" + +LICENSE="as-is" +SLOT="0" +KEYWORDS="~x86 ~amd64" +IUSE="opengl" + +DEPEND="virtual/libc + virtual/x11" +RDEPEND="virtual/x11 + opengl? ( media-libs/glut )" + +S=${WORKDIR}/${MY_P} + +src_unpack() { + # Set fortran compiler, since gcc-config doesn't + [ -z ${FC} ] && FC="g77" + + # Check for fortran compiler + if [ ! "`which ${FC} 2> /dev/null`" ]; then + eerror "Fortran compiler not found." + eerror "Please recompile sys-devel/gcc with f77 in USE flags." + die + fi + + unpack ${A} + cd ${S} + + # No need to add a new identical patch + # assuming people don't stupidly remove 3.9 patch with 3.9 + epatch ${FILESDIR}/${PN}-3.9-fixMakefile.patch +} + +src_compile() { + # Use -mieee on alpha, according to the Makefile + use alpha && append-flags -mieee + + # Honor CC, CFLAGS, FC, and FFLAGS from environment; + # unfortunately a bash bug prevents us from doing typeset and + # assignment on the same line. + typeset -a args + args=( CC="$(tc-getCC) ${CFLAGS}" \ + ${FC:+FC="${FC}" LDR="${FC}"} \ + ${FFLAGS:+FFLAGS="${FFLAGS}"} ) + + einfo "Building Molden..." + emake "${args[@]}" || die "molden emake failed" + if use opengl ; then + einfo "Building Molden OpenGL helper..." + emake "${args[@]}" moldenogl || die "moldenogl emake failed" + fi +} + +src_install() { + dobin molden + use opengl && dobin moldenogl + dodoc HISTORY README REGISTER + cd doc + uncompress * + dodoc * +} |