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python310-pymol-3.0.0-1.2 RPM for aarch64

From OpenSuSE Ports Tumbleweed for aarch64

Name: python310-pymol Distribution: openSUSE Tumbleweed
Version: 3.0.0 Vendor: openSUSE
Release: 1.2 Build date: Tue Jun 18 17:42:12 2024
Group: Productivity/Scientific/Chemistry Build host: reproducible
Size: 20821978 Source RPM: python-pymol-3.0.0-1.2.src.rpm
Packager: http://bugs.opensuse.org
Url: https://pymol.org/
Summary: A Molecular Viewer
PyMOL is a molecular graphics system targetted at medium to large
biomolecules like proteins. It can generate molecular graphics
images and animations.

Features include:

* Visualization of molecules, molecular trajectories and surfaces
  of crystallography data or orbitals
* Molecular builder and sculptor
* Internal raytracer and movie generator
* Fully extensible and scriptable via a python interface

The file formats PyMOL can read include PDB, XYZ, CIF, MDL Molfile,
ChemDraw, CCP4 maps, XPLOR maps and Gaussian cube maps.

Provides

Requires

License

Python-2.0

Changelog

* Tue Jun 18 2024 <hsk17@mail.de>
  - update to 3.0.0
    * Panels
    - Nucleic Acid Builder supported
    - Scenes Panel (Basic version)
    - Improved APBS electrostatics plugin integrated
    * Distance/Bonding detection
    - Halogen-bond detection and display
    * Python API
    - "fnab" command (sequence to nucleic acid chain)
    - Improved CGO builder API
    - get_sasa_relative() "subsele" argument added
    - new clip modes/API
    - iterate() adds "explicit_valence" and "explicit_degree"
    - "cell_centered" setting added
    - by grid-cell background gradient "bg_gradient=2"
    - look_at() added
    - experimental "curve_new" / "move_on_curve"
    * Developer
    - C++17 required
    - pymol-testing integrated
    - pytest introduced
    - Github Actions CI
    * And many other fixes and small additions provided by
      developers and the community...
  - spec file:
    * re-add test related stuff as upstream introduced a pytest
      based testing
    * drop TestExporting.testglTF - requires an executable from
      Schrodinger
    * on Leap, drop / tweak some tests to fit old package versions
* Fri Aug 11 2023 <hsk17@mail.de>
  - update to 2.5.0
    * File Import/Export
    - DX binary map import (*dxbin)
    - PDB/MMTF export: symmetry information now added
    - Improved FASTA import
    - Support for map.gz and mrc.gz extensions
    * Builder & Panels
    - Improved Fuse command (disallows hypervalent bonds,
      substitute monovalent atoms instead of attaching to them)
    - Customizable keyboard shortcut menu
    - Properties inspector now supports unsetting settings with
      “Delete” key
    * Graphics & Visualization
    - Ray interior colors now match primitives with
      `set ray_interior_color, atomic`
    - Isomesh transparency support
    - `sphere_mode` 5 removed (9 as replacement)
    - Curved cartoon cylindrical helices
    - Isosurface generation via marching cubes with setting
      `isosurface_algorithm, (0, 1)` (0 requires VTKm)
    * PBC Handling
    - Periodic boundary conditions supported in rebond, smooth,
      and intra_fit
    * Python API
    - Python 2 support removed
    - pbc argument added to rebond, smooth, and intra_fit
    - png(None) returns bytes
    - scene_order() allows list for `names`
    - pbc_wrap() and pbc_unwrap added
    - matrix_reset() supports `state=0` for all states
    - editing_ring() added
    - unset now restores the default value for global settings
    - load_traj now uses state=1 by default
    - get_area command and dots representation: Exclude
      “flag ignore” atoms
  - no-o3.patch: adapt to 2.5.0
  - spec file:
    * some tweaks to adapt to 2.5.0
    * remove test related stuff; test run commands are removed
      from 2.5.0 as unmaintained and useless
* Wed May 19 2021 Steve Kowalik <steven.kowalik@suse.com>
  - Remove the execute bit from some test scripts to remove a spurious
    requirement.
* Sun Feb 21 2021 andy great <andythe_great@pm.me>
  - Skip python3.6 because numpy no longer support it.
  - Add mmtf-cpp-devel and use msgpackc.
  - Attempt to get the test to run.
    * Use _service to download pymol-testing for test data.
    * Use bcond to enable/disable testing arguments.
    * Pymol seems to need itself to test.
    * Add %check section.
* Tue Sep 01 2020 Matej Cepl <mcepl@suse.com>
  - Update to 2.4.0:
    * load_traj
    - support netcdf format
    - support `selection` argument with all file formats
    * CCP4/MRC Map Support
    - Distinguish .ccp4 and .mrc extensions (regarding origin)
    - .map extension: auto-detect the format
    * New distance mode 8
    * MMTF export: Consider `pdb_retain_ids` setting
    * GLTF export (based on collada2gltf)
    * New `internal_gui_name_color_mode` setting
    * MPEG4 Movie export: Apply `movie_fps` setting to exported
      file
    * Python API
    - Improved error handling with exceptions
    - New: cmd.rebond()
    - New: cmd.get_capabilities()
    - Fix: cmd.get_bonds() state off by one
    - cmd.fit() et al.: raise on error
    * Launch Options
    - Restore `-V` launch argument for external GUI height
    - macOS: `open` event opens new window
* Sat Feb 01 2020 Stefan Brüns <stefan.bruens@rwth-aachen.de>
  - Remove glew runtime dependency (only contains debug tools and
    documentation).
  - Remove freeglut build dependency (unused unless enabled with
    '--glut' setup.py option).
  - Use https for URL.
* Mon Feb 11 2019 Matej Cepl <mcepl@suse.com>
  - Upgrade to 2.3.0:
    * atom-level cartoon_transparency
    * aln export for Nucleic Acids
    * new API function: cmd.set_raw_alignment()
    * fetch async=0 by default
    * fast MMTF export (requires mmtf-cpp)
    * new setting: seq_view_gap_mode
* Thu Jan 03 2019 opensuse-packaging@opensuse.org
  - Update to version 2.2.0+git.1544795767.c481a7c1:
    * fix SettingUniqueFromPyList w/ float3
    * remove pymol::Image::Image(T&& vec, ...)
    * refactor: pymol::Image tweaks
    * rewrite "get_raw_alignment"
    * refactor: pymol::vla::operator->() usage
    * fix #16 pymol::vla::operator[] for VS2015 32bit
    * fix pymol::vla::operator+ for VS2015
    * pymol::Image::pixels()
    * fix build
    * fix macOS build
  - Switch off msgpackc as we don't have mmtf-cpp packaged.
* Thu Aug 23 2018 tchvatal@suse.com
  - Version update to 2.2.0:
    * Switch devel links to github
    * No finegraned news file see ChangeLog for commit info
  - Rebase patch no-o3.patch
* Thu Aug 23 2018 tchvatal@suse.com
  - Fix fdupes call
  - Install license and docu files

Files

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/usr/bin/pymol
/usr/bin/pymol-3.10
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Fabrice Bellet, Thu Oct 3 01:35:07 2024