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* Merge master into staging-nextgithub-actions[bot]2021-01-10
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| * octopus: 10.0 -> 10.3Markus Kowalewski2021-01-09
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| * octopus: update licensesMarkus Kowalewski2021-01-09
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* | Merge staging-next into stagingFrederik Rietdijk2021-01-04
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| * Merge pull request #107223 from markuskowa/upd-qemarkuskowa2021-01-04
| |\ | | | | | | quantum-espresso: 6.5 -> 6.6
| | * quantum-espresso: 6.5 -> 6.6Markus Kowalewski2020-12-19
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* | | treewide: remove enableParallelBuilding = true if using cmakeBen Siraphob2021-01-03
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* | openmolcas: set platform to x86-64-linuxMarkus Kowalewski2020-12-26
| | | | | | | | | | This is the main development platforms. Others are not officially supported.
* | openmolcas: fix fallout from #83888Markus Kowalewski2020-12-26
|/ | | | | Removed non-functional lines. Openmolcas does not build with the blas/lapack switching mechanism
* openmolcas: fix hashMarkus Kowalewski2020-11-30
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* jmol: 14.31.17 -> 14.31.18R. RyanTM2020-11-28
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* Merge pull request #104083 from timokau/sage-maintainers-teamTimo Kaufmann2020-11-19
|\ | | | | maintainers: create sage team
| * maintainers: create sage teamTimo Kaufmann2020-11-18
| | | | | | | | | | | | | | | | Maintaining all the packages whose updates might break some aspect of sage. For reference: https://github.com/NixOS/nixpkgs/pull/103810#issuecomment-727536510
* | marvin: 20.19.0 -> 20.20.0R. RyanTM2020-11-18
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* jmol: 14.31.14 -> 14.31.17R. RyanTM2020-11-13
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* Merge pull request #102582 from r-ryantm/auto-update/marvinRyan Mulligan2020-11-03
|\ | | | | marvin: 20.17.0 -> 20.19.0
| * marvin: 20.17.0 -> 20.19.0R. RyanTM2020-11-03
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* | jmol: 14.31.3 -> 14.31.14R. RyanTM2020-11-02
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* openmolcas: 19.11 -> 20.10Markus Kowalewski2020-10-19
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* openmolcas: fix build w.r.t. openblasMarkus Kowalewski2020-10-19
| | | | | Fall out from switching openblas over to multiple outputs: https://github.com/NixOS/nixpkgs/pull/98337
* jmol: 14.31.2 -> 14.31.3R. RyanTM2020-09-23
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* marvin: 20.16.0 -> 20.17.0R. RyanTM2020-08-26
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* d-seams: init at 1.0.1Rohit Goswami2020-08-15
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* Merge pull request #94779 from r-ryantm/auto-update/marvinRyan Mulligan2020-08-09
|\ | | | | marvin: 20.15.0 -> 20.16.0
| * marvin: 20.15.0 -> 20.16.0R. RyanTM2020-08-06
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* | octopus: 9.2 -> 10.0Markus Kowalewski2020-08-07
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* Merge pull request #92796 from r-ryantm/auto-update/jmolTimo Kaufmann2020-07-09
|\ | | | | jmol: 14.31.0 -> 14.31.2
| * jmol: 14.31.0 -> 14.31.2R. RyanTM2020-07-09
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* | gwyddion: 2.55 -> 2.56R. RyanTM2020-07-07
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* | marvin: 20.13.0 -> 20.15.0R. RyanTM2020-07-05
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* Merge pull request #90045 from r-ryantm/auto-update/marvinRyan Mulligan2020-06-10
|\ | | | | marvin: 20.12.0 -> 20.13.0
| * marvin: 20.12.0 -> 20.13.0R. RyanTM2020-06-10
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* | jmol: 14.30.2 -> 14.31.0R. RyanTM2020-06-10
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* molden: 6.2 -> 6.3Markus Kowalewski2020-06-06
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* marvin: 20.10.0 -> 20.12.0R. RyanTM2020-05-27
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* marvin: 20.9.0 -> 20.10.0R. RyanTM2020-05-06
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* blas,lapack: use isILP64 instead of is64bitMatthew Bauer2020-04-20
| | | | | | | | This is a better name since we have multiple 64-bit things that could be referred to. LP64 : integer=32, long=64, pointer=64 ILP64 : integer=64, long=64, pointer=64
* treewide: use blas and lapackMatthew Bauer2020-04-17
| | | | | | | | | | | | This makes packages use lapack and blas, which can wrap different BLAS/LAPACK implementations. treewide: cleanup from blas/lapack changes A few issues in the original treewide: - can’t assume blas64 is a bool - unused commented code
* treewide: Per RFC45, remove all unquoted URLsMichael Reilly2020-04-10
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* gwyddion: add darwin supportConstantine Glen Evans2020-04-01
| | | | | | Gwyddion will build on Darwin, but gnome2.gtkglext is broken there, and so I am disabling it as an optional dependency here when building on Darwin.
* marvin: 20.6.0 -> 20.9.0R. RyanTM2020-03-30
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* gwyddion: 2.48 -> 2.55 (and add options)Constantine Glen Evans2020-03-27
| | | | | | | | Gwyddion has a large number of optional dependencies. In this update, those dependencies have been added with options set mostly to true, and an option (default false) for working Python 2.7 support in the program and in Python has been added. I have also added myself as a maintainer as no maintainer is currently set.
* Merge pull request #81604 from markuskowa/upd-octopusmarkuskowa2020-03-03
|\ | | | | octopus: 9.1 -> 9.2
| * octopus: 9.1 -> 9.2Markus Kowalewski2020-03-03
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* | Merge pull request #80977 from r-ryantm/auto-update/quantum-espressomarkuskowa2020-03-03
|\ \ | |/ |/| quantum-espresso: 6.4.1 -> 6.5
| * quantum-espresso: 6.4.1 -> 6.5R. RyanTM2020-02-24
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* | marvin: 20.4.0 -> 20.6.0Brenton Horne2020-03-02
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* marvin: 20.3.0 -> 20.4.0Brenton Horne2020-02-10
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* marvin: 19.27.0 -> 20.3.0R. RyanTM2020-02-08
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* jmol: 14.30.1 -> 14.30.2R. RyanTM2020-02-01
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