diff options
| -rw-r--r-- | sci-libs/libghemical/ChangeLog | 10 | ||||
| -rw-r--r-- | sci-libs/libghemical/Manifest | 4 | ||||
| -rw-r--r-- | sci-libs/libghemical/files/digest-libghemical-1.91 | 1 | ||||
| -rw-r--r-- | sci-libs/libghemical/libghemical-1.91.ebuild | 40 |
4 files changed, 53 insertions, 2 deletions
diff --git a/sci-libs/libghemical/ChangeLog b/sci-libs/libghemical/ChangeLog index 3d822ab8c270..7609687a6b30 100644 --- a/sci-libs/libghemical/ChangeLog +++ b/sci-libs/libghemical/ChangeLog @@ -1,6 +1,14 @@ # ChangeLog for sci-libs/libghemical # Copyright 1999-2005 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-libs/libghemical/ChangeLog,v 1.2 2005/12/05 17:13:08 swegener Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-libs/libghemical/ChangeLog,v 1.3 2005/12/06 11:03:18 spyderous Exp $ + +*libghemical-1.91 (06 Dec 2005) + + 06 Dec 2005; Donnie Berkholz <spyderous@gentoo.org>; + +libghemical-1.91.ebuild: + Bump. Remove faulty libf2c dep; block on mpqc-2.3, pending upstream bug + #237; Change openbabel dep to =1*, pending upstream bug #238; Add needed + deps on virtual/blas and virtual/lapack. 02 Dec 2005; Donnie Berkholz <spyderous@gentoo.org>; +metadata.xml, +libghemical-1.90.ebuild: diff --git a/sci-libs/libghemical/Manifest b/sci-libs/libghemical/Manifest index 60d86a73dca4..5c4d095d9727 100644 --- a/sci-libs/libghemical/Manifest +++ b/sci-libs/libghemical/Manifest @@ -1,4 +1,6 @@ -MD5 3fbe111356b4a2b058fd36bb2a0c201f ChangeLog 602 +MD5 d82c65a79763b8fb8cd9c1663ab4a711 ChangeLog 912 MD5 9e76c51c466b9b689c090d08b7d371dc files/digest-libghemical-1.90 65 +MD5 24cb392d27e0cac4b58dffc8840593b2 files/digest-libghemical-1.91 66 MD5 652889b99255925151316a78fa1325d9 libghemical-1.90.ebuild 1243 +MD5 bd82cf6364118c937221b163e3f64ef8 libghemical-1.91.ebuild 1319 MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156 diff --git a/sci-libs/libghemical/files/digest-libghemical-1.91 b/sci-libs/libghemical/files/digest-libghemical-1.91 new file mode 100644 index 000000000000..39035a6f7064 --- /dev/null +++ b/sci-libs/libghemical/files/digest-libghemical-1.91 @@ -0,0 +1 @@ +MD5 6832615a8411c46c6f1b011a7354106e libghemical-1.91.tgz 1087881 diff --git a/sci-libs/libghemical/libghemical-1.91.ebuild b/sci-libs/libghemical/libghemical-1.91.ebuild new file mode 100644 index 000000000000..850042bb5475 --- /dev/null +++ b/sci-libs/libghemical/libghemical-1.91.ebuild @@ -0,0 +1,40 @@ +# Copyright 1999-2005 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-libs/libghemical/libghemical-1.91.ebuild,v 1.1 2005/12/06 11:03:18 spyderous Exp $ + +inherit eutils + +DESCRIPTION="Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available." +HOMEPAGE="http://www.uku.fi/~thassine/ghemical/" +SRC_URI="http://www.uku.fi/~thassine/ghemical/download/${P}.tgz" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~ppc ~x86" +IUSE="mopac7 mpqc openbabel" + +RDEPEND="virtual/glut + mopac7? ( sci-chemistry/mopac7 ) + openbabel? ( =sci-chemistry/openbabel-1.100.2 ) + mpqc? ( sci-chemistry/mpqc ) + !=sci-chemistry/mpqc-2.3.0 + virtual/blas + virtual/lapack" + +DEPEND="${RDEPEND} + >=dev-util/pkgconfig-0.15" + +src_compile() { + libtoolize --copy --force + + ./configure \ + --prefix=/usr \ + $(use_enable mopac7) \ + $(use_enable mpqc) \ + $(use_enable openbabel) || die "Configure failed" + emake || die "Make failed" +} + +src_install() { + make DESTDIR="${D}" install || die "Install failed" +} |