nixpkgs - Downstream nixpkgs tree for Spectrum

	Commit message (Expand)	Author	Age
*	Merge pull request #265514 from xworld21/treewide-texlive-with-packages	Dmitry Kalinkin	2023-11-06
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\| *	openmolcas: replace texlive.combined.scheme-minimal with texliveMinimal	Vincenzo Mantova	2023-11-05
* \|	nwchem: 7.2.1 -> 7.2.2	Markus Kowalewski	2023-11-05
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*	gwyddion: 2.63 -> 2.64	R. Ryantm	2023-11-04
*	Merge pull request #263844 from r-ryantm/auto-update/jmol	markuskowa	2023-10-28
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\| *	jmol: 16.1.41 -> 16.1.43	R. Ryantm	2023-10-27
* \|	cp2k: allow fortran argument mismatches	Phillip Seeber	2023-10-27
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*	Merge master into staging-next	github-actions[bot]	2023-10-19
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\| *	openmolcas: 23.06 -> 23.10	Phillip Seeber	2023-10-19
* \|	Merge master into staging-next	github-actions[bot]	2023-10-13
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\| *	Merge pull request #257390 from r-ryantm/auto-update/gwyddion	Weijia Wang	2023-10-13
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\| \| *	gwyddion: 2.61 -> 2.63	R. Ryantm	2023-09-26
* \| \|	Merge master into staging-next	github-actions[bot]	2023-10-13
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\| * \|	Merge pull request #260341 from r-ryantm/auto-update/marvin	Weijia Wang	2023-10-13
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\| \| * \|	marvin: sha256 -> hash	Weijia Wang	2023-10-13
\| \| * \|	marvin: 23.4.0 -> 23.12.0	R. Ryantm	2023-10-11
* \| \| \|	Merge master into staging-next	github-actions[bot]	2023-10-11
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\| * \| \|	Merge pull request #260254 from markuskowa/upd-nwchem	markuskowa	2023-10-11
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\| \| * \|	nwchem: 7.2.0 -> 7.2.1	Markus Kowalewski	2023-10-10
* \| \| \|	Merge remote-tracking branch 'origin/master' into staging-next	Fabián Heredia Montiel	2023-10-10
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\| * \| \|	rocm-related: fixup for ROCm 5.7.0	Madoura	2023-10-09
* \| \| \|	Merge master into staging-next	github-actions[bot]	2023-10-09
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\| * \| \|	cp2k: enable GPU offloading, sirius planewaves and optimisations	Phillip Seeber	2023-10-09
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* \| \|	Merge pull request #259253 from Artturin/pyfixes1	Artturi	2023-10-06
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\| * \|	apbs: fix py311 build	Artturin	2023-10-06
* \| \|	wxmacmolplt: fix linking	Phillip Seeber	2023-10-05
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* \|	openmolcas: use getDev to pickup libxc includes	Markus Kowalewski	2023-10-03
* \|	Merge pull request #258211 from markuskowa/fix-nwchem	markuskowa	2023-10-02
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\| * \|	nwchem: remove test jobs from output	Markus Kowalewski	2023-09-30
* \| \|	Merge pull request #258190 from markuskowa/fix-cp2k	markuskowa	2023-10-02
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\| * \| \|	c2pk: remove unit tests from output	Markus Kowalewski	2023-09-30
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* \| \|	cp2k: fix libxc includes (use getDev)	Markus Kowalewski	2023-10-02
* \| \|	Merge pull request #258501 from r-ryantm/auto-update/jmol	Mauricio Collares	2023-10-02
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\| * \| \|	jmol: 16.1.39 -> 16.1.41	R. Ryantm	2023-10-02
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* / /	cp2k: fix libxsmm includes (use getDev)	Markus Kowalewski	2023-09-30
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* \|	Merge pull request #257718 from markuskowa/upd-mopac	markuskowa	2023-09-28
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\| *	mopac: 22.0.6 -> 22.1.0	Markus Kowalewski	2023-09-27
* \|	jmol: 16.1.35 -> 16.1.39	R. Ryantm	2023-09-19
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*	treewide: vendorSha256 → vendorHash	Fabián Heredia Montiel	2023-09-13
*	avogadro: remove	ajs124	2023-09-04
*	jmol: 16.1.33 -> 16.1.35	R. Ryantm	2023-08-31
*	Merge pull request #246867 from markuskowa/add-mpi-hook	markuskowa	2023-08-26
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\| *	nwchem: use mpiCheckPhaseHook	Markus Kowalewski	2023-08-22
\| *	cp2k: use mpiCheckPhaseHook	Markus Kowalewski	2023-08-22
* \|	ergoscf: 3.8 -> 3.8.2	Markus Kowalewski	2023-08-23
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*	jmol: 16.1.13 -> 16.1.33	R. Ryantm	2023-08-14
*	Merge pull request #246983 from sheepforce/molcas-qcmaquis	markuskowa	2023-08-04
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\| *	openmolcas: enable dmrg and nevpt2 support	Phillip Seeber	2023-08-03
* \|	treewide: noop: refer to `src.name` or similar in `sourceRoot` where appropri...	Jan Malakhovski	2023-08-03
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*	cp2k: 2023.1 -> 2023.2	Phillip Seeber	2023-07-31