gpo.zugaina.org

Search Portage & Overlays:

sci-physics/ase

A set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations

Screenshots

  • ase-3.23.0
    ~amd64
    +visualize test python_targets_python3_11 python_targets_python3_12

    View      Download      Browse     License: GPL-3   
    Overlay: phackerlay
  • ase-3.22.1-r2
    ~amd64
    +visualize test python_targets_python3_11 python_targets_python3_12

    View      Download      Browse     License: GPL-3   
    Overlay: phackerlay

ChangeLog

commit bad761655f2a1479b3c326e46ba679f093fbc299
Author: Alexander B. Ustinov <ustinov@spbau.ru>
Date: Thu Jun 6 15:52:34 2024 +0300

sci-physics/ase: downgrade, abinit calculator problem

commit 352f23664e127beb327b47fc6d92009f27149fcc
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Jun 1 11:26:05 2024 +0300

sci-physics/ase: add 3.23.0, drop 3.22.1-r1

commit 89b619a72ae8a400a5d15ade22c501160ba77771
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Sun May 12 15:08:13 2024 +0300

*/*: push to 3.12

commit 00bd14fe89c10b09ab11e2d8ff1ccbdb3195f5f8
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Sun Apr 14 12:09:35 2024 +0300

sci-physics/*: subtle changes

commit e803dff8bcdc6fc72a23fb008e85d01f137bdfd5
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Fri Jun 24 21:09:30 2022 +0300

python3.10 highway

commit 0da08b7b57cbad70f5e962fd0a3eadd249e097d9
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sun Apr 3 22:29:53 2022 +0300

add tests

commit a11912ff88bd8350d652e4916228607d56824438
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Mar 26 23:49:57 2022 +0300

fixes to gpaw and ase

commit 5346c999e2287153179d714782e36771845b6b88
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Mar 26 17:00:55 2022 +0300

fix

commit 9b80c8cbba4c89c7252607f9892f0470d665a40a
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Thu Dec 2 23:19:50 2021 +0300

ase

commit aba19eaee1b4e4c7f72e9e48261b54f56096b7b1
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Tue Jul 20 12:51:53 2021 +0300

gpaw and ase

commit a6f0d57354eba06cfbde66378c96bfcd718fab2d
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Fri Mar 26 10:25:38 2021 +0300

fixes

commit eded6bc8e618dd8f89e02acdad67bbd2ede3826b
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Fri Nov 6 22:21:17 2020 +0300

fix ase

commit 4c42ac64331b48e147f11c716867be59076ac32b
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Jun 6 18:38:59 2020 +0300

fix python deps, add new joplin

commit ee4f3804194380978b6b4a35b6661a6969a6e48f
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Fri Jun 5 19:16:30 2020 +0300

fix dependencies

commit ba44792987eb2d11a36493bb3c2d2da25ff89909
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Wed Jun 3 20:25:18 2020 +0300

fix dependencies for visualisation

commit a143d62f78fd58ad39d018d26ee721d80d8d8181
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat May 9 14:12:48 2020 +0300

ASE and GPAW