# ChangeLog for sci-chemistry/webmo # Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/webmo/ChangeLog,v 1.17 2009/05/29 00:44:59 dberkholz Exp $ 29 May 2009; Donnie Berkholz ; webmo-8.0.010.ebuild: Keyword ~amd64. 26 May 2009; Arfrever Frehtes Taifersar Arahesis webmo-6.1.010.ebuild, webmo-7.0.003.ebuild, webmo-8.0.010.ebuild: Add pkg_setup(). *webmo-8.0.010 (15 Feb 2008) 15 Feb 2008; Donnie Berkholz ; +files/8.0.010-add-gamess-data-directory.patch, +files/8.0.010-gentoo-locations.patch, +webmo-8.0.010.ebuild: Bump. 05 Feb 2008; Benedikt Böhm webmo-6.1.010.ebuild, webmo-7.0.003.ebuild: merge from webapps overlay wrt #208584 03 Feb 2008; Jakub Moc webmo-6.1.010.ebuild, webmo-7.0.003.ebuild: Fix apache dependencies wrt Bug 208584; fix quoting, einfo -> elog 29 Jul 2007; Christian Heim webmo-6.1.010.ebuild, webmo-7.0.003.ebuild: Fixing the DEPEND/RDEPEND for the move of net-www/apache to www-servers/apache (#78622). *webmo-7.0.003 (08 May 2007) 08 May 2007; Donnie Berkholz ; +files/7.0.003-gentoo-locations.patch, +webmo-7.0.003.ebuild: New features in WebMO version 7.0 include: * Improved molecular mechanics for generating initial geometries * Improved Editor clean-up for charged species and/or octet rule exceptions * Automatic diagnosis and reporting of common causes of job failure * JPEG image capture of molecular and spectral images * Database storage of jobs and users for improved performance and scalability * New administrative interface * Many user interface enhancements and bug fixes 20 Sep 2006; Donnie Berkholz ; metadata.xml: (#148281) Change herd to sci-chemistry from sci. 05 Aug 2006; Donnie Berkholz ; metadata.xml: Remove myself as maintainer, anyone feel free to work on this, although I'll continue to do so as well. 07 Jul 2006; Donnie Berkholz ; metadata.xml: Update to my new email address. 20 Jun 2006; Donnie Berkholz ; webmo-6.1.010.ebuild: Add a warning about overwriting info with etc-update. 20 Jun 2006; Donnie Berkholz ; -webmo-6.0.003.ebuild: Pull old version. *webmo-6.1.010 (20 Jun 2006) 20 Jun 2006; Donnie Berkholz ; files/reconfig, +webmo-6.1.010.ebuild: Bump. Significant enhancements to reconfig script to handle webapp-config upgrades properly via etc-update. 23 Feb 2006; Donnie Berkholz ; webmo-6.0.003.ebuild: Remove redundant src_compile(), reported by ciaranm. 04 Dec 2005; Donnie Berkholz ; files/reconfig: Don't overwrite the actual .int file, copy into ._cfg* for etc-update. 04 Dec 2005; Donnie Berkholz ; +files/reconfig: Add hook script, to be run when installing to live host. 04 Dec 2005; Donnie Berkholz ; -files/dont-be-interactive-if-root.patch, +files/dont-be-interactive-or-diagnose.patch, -files/dont-check-unneeded-things.patch, webmo-6.0.003.ebuild: Turn 2 patches into a single one with 4 lines of changes. *webmo-6.0.003 (04 Dec 2005) 04 Dec 2005; Donnie Berkholz ; +files/add-gamess-data-directory.patch, +files/dont-be-interactive-if-root.patch, +files/dont-check-unneeded-things.patch, +files/gentoo-locations.patch, +metadata.xml, +webmo-6.0.003.ebuild: Add a Web interface to a number of computational chemistry programs. Ones in portage include mopac7, gamess and tinker. Also works for Gaussian, NWChem, QChem, Molpro, etc. What needs work: reinstallations without screwing the old configuration, and the reconfig script so editing globals.int isn't required.