diff options
| -rw-r--r-- | sci-chemistry/ghemical/Manifest | 6 | ||||
| -rw-r--r-- | sci-chemistry/libghemical/ChangeLog | 10 | ||||
| -rw-r--r-- | sci-chemistry/libghemical/Manifest | 4 | ||||
| -rw-r--r-- | sci-chemistry/libghemical/files/digest-libghemical-1.90 | 1 | ||||
| -rw-r--r-- | sci-chemistry/libghemical/libghemical-1.90.ebuild | 35 | ||||
| -rw-r--r-- | sci-chemistry/libghemical/metadata.xml | 5 |
6 files changed, 60 insertions, 1 deletions
diff --git a/sci-chemistry/ghemical/Manifest b/sci-chemistry/ghemical/Manifest index 965e3942638c..90a29699c2ef 100644 --- a/sci-chemistry/ghemical/Manifest +++ b/sci-chemistry/ghemical/Manifest @@ -1,10 +1,14 @@ -MD5 e71105e1acd6edfa69c2aa0d4ed6094f ChangeLog 2095 +MD5 3eacbfbce4218d3c72a472fb69b89930 ChangeLog 2308 MD5 7eee9f49213553ee1ee395ec0d8c2384 ghemical-1.00.ebuild 1169 MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156 MD5 bbff2d1aa187874c26b9d4451e8a78c4 ghemical-1.01.ebuild 1173 MD5 905dd6c52373bb930a59da85f0ce98a1 ghemical-1.02.ebuild 1343 +MD5 9d9e56f1b17f12d1bbdace7b89b1bde4 ghemical-1.90.ebuild 1341 MD5 fefd85f432335b478759ce408d355480 files/digest-ghemical-1.00 63 MD5 ed929c4b181d11c1d2ab2e2fdfc65614 files/digest-ghemical-1.01 63 MD5 d33b8f1ad096b3c68d0edcec13f0caaf files/gcc3.4-r1.patch 350 MD5 bdb8f7d12899a6cae19b4d7ff183c752 files/gcc3.4.patch 1112 MD5 ecf94e717ecddb04194c606ff2a1c7c5 files/digest-ghemical-1.02 63 +MD5 dfee64c8a4cb7dc562e202b9b892f1ec files/1.90-gcc3.4-r1.patch 314 +MD5 8a3e5b80ca59fca4b3bf452c38a6c1c9 files/digest-ghemical-1.90 63 +MD5 1abfc18218d6f41913205984e107bdd2 files/ghemical-1.90-ghemical-server-fix.patch 624 diff --git a/sci-chemistry/libghemical/ChangeLog b/sci-chemistry/libghemical/ChangeLog new file mode 100644 index 000000000000..ee34a31e74b2 --- /dev/null +++ b/sci-chemistry/libghemical/ChangeLog @@ -0,0 +1,10 @@ +# ChangeLog for sci-chemistry/libghemical +# Copyright 1999-2005 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/libghemical/ChangeLog,v 1.1 2005/07/09 05:04:40 spyderous Exp $ + +*libghemical-1.90 (09 Jul 2005) + + 09 Jul 2005; Donnie Berkholz <spyderous@gentoo.org>; +metadata.xml, + +libghemical-1.90.ebuild: + Initial commit of development version. + diff --git a/sci-chemistry/libghemical/Manifest b/sci-chemistry/libghemical/Manifest new file mode 100644 index 000000000000..d71708e2d14c --- /dev/null +++ b/sci-chemistry/libghemical/Manifest @@ -0,0 +1,4 @@ +MD5 585555fb83d2ecdd89e0487c929cbdcd libghemical-1.90.ebuild 1243 +MD5 8c623e53daafa025137077c6b65815bd metadata.xml 156 +MD5 072acdc38ba9162ac26433030c60a238 ChangeLog 399 +MD5 9e76c51c466b9b689c090d08b7d371dc files/digest-libghemical-1.90 65 diff --git a/sci-chemistry/libghemical/files/digest-libghemical-1.90 b/sci-chemistry/libghemical/files/digest-libghemical-1.90 new file mode 100644 index 000000000000..05064c7bfa5a --- /dev/null +++ b/sci-chemistry/libghemical/files/digest-libghemical-1.90 @@ -0,0 +1 @@ +MD5 074e485c4786342ba045b616eee0c2da libghemical-1.90.tgz 636435 diff --git a/sci-chemistry/libghemical/libghemical-1.90.ebuild b/sci-chemistry/libghemical/libghemical-1.90.ebuild new file mode 100644 index 000000000000..db32706202b8 --- /dev/null +++ b/sci-chemistry/libghemical/libghemical-1.90.ebuild @@ -0,0 +1,35 @@ +# Copyright 1999-2005 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/libghemical/libghemical-1.90.ebuild,v 1.1 2005/07/09 05:04:40 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="~x86" +IUSE="mopac7 mpqc openbabel" + +DEPEND="dev-libs/libf2c + mopac7? ( sci-chemistry/mopac7 ) + openbabel? ( >=sci-chemistry/openbabel-1.100.2 ) + mpqc? ( sci-chemistry/mpqc ) + >=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" +} diff --git a/sci-chemistry/libghemical/metadata.xml b/sci-chemistry/libghemical/metadata.xml new file mode 100644 index 000000000000..b229aec85b8f --- /dev/null +++ b/sci-chemistry/libghemical/metadata.xml @@ -0,0 +1,5 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> +<herd>sci</herd> +</pkgmetadata> |