Martin Pluskal
b71a8dcf47
- Update to version 3.1.1:
* Fixes for packaging.
* No features or significant bug fixes were involved.
- Changes from version 3.1.0:
* This version represents additional API and is
backwards-compatible with the 3.0 release.
* For a full list of changes, see:
https://open-babel.readthedocs.io/en/latest/ReleaseNotes/ob310.html
- Changes from version 3.0.0:
* This release represents a major update and is strongly
recommended for all users.
* It also removes deprecated components and breaks the API in a
few places. For information on migrating from the previous
version, please see:
https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html#migrating-to-3-0
* A sample of major new features:
+ Code for handling implicit hydrogens and kekulization has
been entirely replaced. As well as being accurate, the new
approach is much faster.
+ Speed of reading and writing SMILES has been improved by
more than 50-fold.
+ Removal of the old 'babel' binary in favor of the newer
'obabel' command-line tool.
+ New improved fragment-based 3D coordinate generation code.
+ New API for handling reactions stored as molecules (e.g.
Reaction InChI, etc.).
+ New API for copying part of an OBMol as a substructure.
+ Support for Maestro file format.
* For a full list of changes, see:
https://open-babel.readthedocs.io/en/latest/ReleaseNotes/ob300.html
- Remove upstreamed patches:
* fix_narrowing.patch
* fix_yasara.patch
- Add patches:
* openbabel-3.1.1-test-python3-escape-chars.patch: Fix python
test failure (gh#openbabel/openbabel#2217).
* openbabel-3.1.1-test-python3-imports.patch: Fix ImportError in
python tests (gh#openbabel/openbabel!2378).
* openbabel-3.1.1-version-number.patch: Fix version number.
* openbabel-3.1.1-gcc-12.patch: Fix build with GCC 12
(gh#openbabel/openbabel!2493).
* openbabel-3.1.1-wx-stl-compat.patch: Fix GUI build against
wxWidgets compiled with STL (gh#openbabel/openbabel!2527).
- Build against system's inchi library instead of the bundled one.
- Add maeparser-devel as build dependency: Needed for Maestro
support.
- Update subpackages:
* Compile and package GUI.
* Move plugins from CLI package (i.e. main package) to library
package: They should be available to other library clients
without requiring the CLI tools.
* Move data files from CLI package to library package: Some are
required by the library, some are required by its plugins,
let's move everything to library package for now.
- Drop __DATE__ and __TIME__ tweaks for reproducibility: These GCC
macros now use SOURCE_DATE_EPOCH.
- Enable tests.
OBS-URL: https://build.opensuse.org/request/show/998728
OBS-URL: https://build.opensuse.org/package/show/science/openbabel?expand=0&rev=16
23 lines
688 B
Diff
23 lines
688 B
Diff
From 650b1f829ac47cc84877a330366ec9485da3ec99 Mon Sep 17 00:00:00 2001
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From: Geoff Hutchison <geoff.hutchison@gmail.com>
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Date: Fri, 8 May 2020 13:31:52 -0400
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Subject: [PATCH] Revise for 3.1.1 release
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---
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CMakeLists.txt | 2 +-
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1 file changed, 1 insertion(+), 1 deletion(-)
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diff --git a/CMakeLists.txt b/CMakeLists.txt
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index c39db4a1c4..6b359bb572 100644
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--- a/CMakeLists.txt
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+++ b/CMakeLists.txt
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@@ -24,7 +24,7 @@ include (CheckCXXCompilerFlag)
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# had too many 1.100.1 releases. :-)
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set(BABEL_MAJ_VER 3)
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set(BABEL_MIN_VER 1)
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-set(BABEL_PATCH_VER 0)
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+set(BABEL_PATCH_VER 1)
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# This should be phased out in preference for just using the target name
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set(BABEL_LIBRARY openbabel)
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