From bf5d7b719b3e05fc6bbde5f28aaac68deffa6b89cf53bd6654e8a41e78aed262 Mon Sep 17 00:00:00 2001 From: Jan Engelhardt Date: Thu, 17 Jul 2014 14:57:07 +0000 Subject: [PATCH] jmol-14.2.2 OBS-URL: https://build.opensuse.org/package/show/science/jmol?expand=0&rev=3 --- Jmol-14.0.17_2014.06.10-binary.tar.gz | 3 --- Jmol-14.2.2_2014.06.29-binary.tar.gz | 3 +++ jmol.changes | 15 +++++++++++++++ jmol.spec | 7 ++++--- 4 files changed, 22 insertions(+), 6 deletions(-) delete mode 100644 Jmol-14.0.17_2014.06.10-binary.tar.gz create mode 100644 Jmol-14.2.2_2014.06.29-binary.tar.gz diff --git a/Jmol-14.0.17_2014.06.10-binary.tar.gz b/Jmol-14.0.17_2014.06.10-binary.tar.gz deleted file mode 100644 index f5be30d..0000000 --- a/Jmol-14.0.17_2014.06.10-binary.tar.gz +++ /dev/null @@ -1,3 +0,0 @@ -version https://git-lfs.github.com/spec/v1 -oid sha256:d6db27c1b2d1063acd51f3762dcd19358ad63fbf1829f5654360ec57978785bc -size 55906205 diff --git a/Jmol-14.2.2_2014.06.29-binary.tar.gz b/Jmol-14.2.2_2014.06.29-binary.tar.gz new file mode 100644 index 0000000..041457e --- /dev/null +++ b/Jmol-14.2.2_2014.06.29-binary.tar.gz @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56c8c8ef21fe959cc94733a01f971b3fb0168460de8e4c3efca62360074b3cbe +size 58295921 diff --git a/jmol.changes b/jmol.changes index 70ff602..f84a72a 100644 --- a/jmol.changes +++ b/jmol.changes @@ -1,3 +1,18 @@ +------------------------------------------------------------------- +Thu Jul 17 14:56:33 UTC 2014 - jengelh@inai.de + +- update to version 14.2.2 +* New features: +* readers with unit cells may load as trajectories +* protein sidechain minimization +* Bug fixes: +* CASTEP reader broken for multiple cells and geometry optimization +* set pdbAddHydrogens fails for structures with ANISOU records +* select x < 0.3 reports error when checking, though it does run + when executed +* SMILES for model with nonbonded atoms fails +* WebPanel error trapping problem; too long file name for tar file + ------------------------------------------------------------------- Wed Jun 11 14:21:37 UTC 2014 - jengelh@inai.de diff --git a/jmol.spec b/jmol.spec index f49c6ab..5eea4ab 100644 --- a/jmol.spec +++ b/jmol.spec @@ -17,14 +17,15 @@ Name: jmol -Version: 14.0.17 +Version: 14.2.2 Release: 0 +%define date 2014.06.29 Summary: 3D Viewer for chemical structures License: LGPL-2.1 Group: Productivity/Scientific/Chemistry Url: http://jmol.sf.net/ -Source: http://downloads.sf.net/jmol/Jmol-%{version}_2014.06.10-binary.tar.gz +Source: http://downloads.sf.net/jmol/Jmol-%{version}_%date-binary.tar.gz Source2: Jmol_icon13.png #Source2-Orig: http://wiki.jmol.org/index.php/File:Jmol_icon13.png Patch1: datadir.diff @@ -39,7 +40,7 @@ Jmol is a Java-based viewer for chemical structures in 3D with features for chemicals, crystals, materials and biomolecules. %prep -%setup -qn %name-%{version}_2014.06.10 +%setup -qn %name-%{version}_%date %patch -P 1 -p1 cp %{S:2} .