13 Commits

Author	SHA1	Message	Date
markuskowa	ccdb27584c	Merge pull request #258190 from markuskowa/fix-cp2k ... c2pk: remove unit tests from output	2023-10-02 17:28:08 +02:00
Markus Kowalewski	1d953af53e	cp2k: fix libxc includes (use getDev)	2023-10-02 11:09:20 +02:00
Markus Kowalewski	dad3ce4398	cp2k: fix libxsmm includes (use getDev)	2023-09-30 23:28:31 +02:00
Markus Kowalewski	c883a53089	c2pk: remove unit tests from output ... reduces output size from 1.3GB to 960 MB	2023-09-30 15:03:12 +02:00
Markus Kowalewski	b44960c4d9	cp2k: use mpiCheckPhaseHook	2023-08-22 23:27:47 +02:00
Phillip Seeber	0261a4fc37	cp2k: 2023.1 -> 2023.2	2023-07-31 12:33:37 +02:00
Phillip Seeber	09b52c631a	cp2k: enable plumed plugin ... cp2k: enable plumed plugin cp2k: use mpicxx to figure out link lines	2023-03-16 14:30:27 +01:00
R. Ryantm	d0852f2fdf	cp2k: 2022.2 -> 2023.1	2023-01-14 20:34:50 +00:00
Phillip Seeber	c75b4ee2f0	cp2k: 9.1.0 -> 2022.2	2022-10-04 15:42:45 +02:00
Phillip Seeber	afdfec504f	cp2k: 8.2.0 -> 9.1.0	2022-01-10 13:54:46 +01:00
Markus Kowalewski	6d1f54dc5d	cp2k: make elpa optional	2021-12-10 20:56:21 +01:00
Markus Kowalewski	53f32adc65	cp2k: build with elpa	2021-12-02 17:22:41 +01:00
Phillip Seeber	e503e43a03	cp2k: init at 8.2.0 ... cp2k: cleanup/formatting cp2k: change license cp2k: remove comment	2021-07-09 11:27:35 +02:00