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sci-physics/quantum-espresso

Suite for first-principles electronic-structure calculations and materials modeling

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  • quantum-espresso-7.4
    ~amd64
    +system-blas +system-fftw +system-lapack +libxc hdf5 openmp mpi elpa scalapack

    View      Download      Browse     License: GPL-2   
    Overlay: phackerlay

ChangeLog

commit 7015f3f6341ea416dbdb002acd1decc231ab34d0
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Sun Nov 10 20:12:18 2024 +0300

sci-physics/quantum-espresso: libxc[fortran]

commit 8cfc8a28174925374456a6018ec695cec5f56ded
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Sun Oct 27 14:53:23 2024 +0300

sci-physics/quantum-espresso: add 7.4, drop 7.3.1

commit f07b5c56977aba0d900a704b9720283952bd7d80
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Sat Mar 23 21:22:23 2024 +0300

sci-physics/quantum-espresso: add 7.3.1, drop 7.3

commit c1d70f5b1962b9cef6d6660bb18ad4131b4dd211
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Sun Dec 17 12:32:27 2023 +0300

sci-physics/quantum-espresso: add 7.3, drop 7.2

commit 14351a74c2b1eec79f41134147e4ccf431896b1c
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Mon Mar 27 19:36:15 2023 +0300

sci-physics/quantum-espresso: add 7.2, drop 7.1

commit 413362f76ccac75846a6181d284bf085e847034f
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Jun 18 00:16:46 2022 +0300

qe-7.1

commit 774a17dfc5c8ebc670b57ec94e0a4bd3fbe3d7ba
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Tue Jan 4 11:12:05 2022 +0300

qe

commit 68989b7692217049c7173cbe5ac0a26db082ffba
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Tue Jul 20 21:12:22 2021 +0300

quantum-espresso

commit 6f27c6073d2175e08d8ec564dfaefe67fc448343
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Wed Dec 23 16:09:33 2020 +0300

fix

commit b3367ca2fa91f8412a7e3f7734ef6c0d01380498
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Wed Aug 5 19:18:50 2020 +0300

quantum-espress 6.6

commit be8e9e255d942538293d6c59408ff53b9e063fed
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sun Jun 7 20:55:52 2020 +0300

fixes + slurm-magic

commit 9698db8556ebbc2bc5623044331e5708825c4dea
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat May 9 14:35:46 2020 +0300

unsuccessed intel compiler for quantum-espresso

commit a2b31061a50174d69dd9fcfa8a8d5d152026702e
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Tue Apr 7 20:40:00 2020 +0300

fix manifest

commit 4027e71d4a15bb50df1a276e78cc71328f67a56b
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sun Apr 5 01:12:12 2020 +0300

changes to espresso

commit 2c905bb428351b24753b0b878bd0b25ce311e274
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Apr 4 00:30:34 2020 +0300

followup to espresso

commit 2af9ad23480474408aac94af8fbd2ea9657465f7
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Apr 4 00:22:19 2020 +0300

espresso fixes + metadata

commit 87d190559b1efc66acb9bca3c12125b5fea0f941
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Fri Apr 3 19:39:58 2020 +0300

espresso without metadata

commit a45c6e8867ab0c898fb41460b012839ca6cd8851
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Mar 14 00:38:59 2020 +0300

followup

commit c4bd3ed893683971bcfe11a372d8d453253281f6
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Mar 14 00:38:07 2020 +0300

add dependency

commit f3d2e4c873d3a65fe1cbe6e5cd815eff3bc361e4
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sat Mar 14 00:02:14 2020 +0300

more fixes

commit f884244b15d6edc9d53775fe6b5b6cd12dadd23b
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Fri Mar 13 23:49:46 2020 +0300

espresso