33 commits

Author	SHA1	Message	Date
HE Zilong	d2d9c0e403	Docs: write build timstamp to page footer, link past releases in CP2K_INPUT, add acronyms, add notes about NaN/Inf, edit convergence.md (#5579)	2026-07-13 10:55:09 +02:00
HE Zilong	3c427e6f4d	Docs: add troubleshooting.md, convergence.md, CONTRIBUTING.md symbolic link, and contributions to changelog (#5522)	2026-07-10 08:59:09 +02:00
Matthias Krack	6d68f17818	Update usage doc and version for make_cp2k.sh (#5543)	2026-07-08 11:06:37 +02:00
SY Wang	9fc3e74bfe	Reorganize dependency and electronic-structure documentation (#5481)	2026-07-01 13:23:20 +02:00
Matthias Krack	c28f603b59	Remove -v flag from example (#5403)	2026-06-16 22:46:16 +02:00
HE Zilong	b4b5edf373	Expand documentation on MD and opt; add "Foreword and FAQ" (#5337)	2026-06-07 13:35:41 +02:00
Matthias Krack	fac8184df2	Add more detailed documentation on installing cp2k with conda (#5237)	2026-05-18 15:57:06 +02:00
Matthias Krack	59927b9229	make_cp2k.sh: Introduce --use_cache flag (#5149)	2026-05-08 09:59:03 +02:00
SY Wang	f577188f47	Toolchain: Replace "scripts/generate_cmake_options.sh" with "build_cp2k.sh" (#5080) ... Co-authored-by: HE Zilong <159878975+he-zilong@users.noreply.github.com>	2026-04-26 12:40:37 +02:00
Dynamics of Condensed Matter	c92e8381f7	docs: add Quickstep getting-started material (#5100) ... Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>	2026-04-26 12:02:00 +02:00
SY Wang	5fb5ea801f	MPICH 4.3.2 -> 5.0.1 (#5036)	2026-04-13 12:45:15 +02:00
Matthias Krack	7b94146043	Add flag for building a static CP2K library in make_cp2k.sh	2026-03-25 16:11:45 +01:00
Matthias Krack	501b191426	Revise build from source instructions	2026-03-20 14:53:03 +01:00
SY Wang	1d3eaad00e	Update documentation of building from source (#4881) ... Co-authored-by: Ole Schütt <ole@schuett.name>	2026-02-28 17:38:26 +01:00
Mathieu Taillefumier	2064daf5fd	Add DBCSR cmake configuration check. Apply only to DBCSR > 2.9.1	2026-02-17 18:11:09 +01:00
Ole Schütt	96ff2b3e60	Docs: Mention cmake -LH in build-from-source.md	2026-01-06 15:44:37 +01:00
Ole Schütt	f0e047f783	Docs: Emphasis links to tech section in build-from-source.md	2025-12-27 17:45:13 +01:00
Taillefumier Mathieu	ab76537063	[cmake] Added CRAY power management counters support	2025-12-20 10:52:32 +01:00
Ole Schütt	d88cc65c55	Remove flag __LIBGRPP	2025-12-19 15:01:55 +01:00
Ole Schütt	a53587514b	Docs: Move content from INSTALL.md to manual and adopt to CMake	2025-12-18 17:44:29 +01:00
Ole Schütt	633ab399f6	CMake: Make __OFFLOAD_PROFILING flag accessible	2025-12-18 14:59:53 +01:00
Ole Schütt	9e35fc8c04	Precommit: Add Check for docu of CMake options	2025-12-17 15:56:06 +01:00
Rocco Meli	c740a4b48f	Add documentation for local Spack cache	2025-05-28 17:31:04 +02:00
Rocco Meli	4c325a8b0d	[docs] Add note about compilers and Spack	2025-01-29 17:53:26 +01:00
Ole Schütt	69d170a4d3	Tests: Stabilize QS/regtest-gpw-8/si8_broy_wc*.inp	2024-12-22 22:24:15 +01:00
Ole Schütt	89661f4edb	Docs: Reorganize getting started section	2024-12-22 19:00:37 +01:00
Rocco Meli	5763cb8a56	DLA-Future Documentation ... Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>	2024-12-20 11:59:26 +01:00
Rocco Meli	a6c906dfb6	Fix links in CMake documentation	2024-12-06 16:21:47 +01:00
Johann Potot.	7b9fbda797	CMake: Add support for cuSOLVERMp	2024-11-19 12:04:50 +01:00
Ole Schütt	44379fe016	Tests: Adopt do_regtest.py for CMake builds	2024-08-21 22:42:27 +02:00
Rocco Meli	9dcc6b6f27	Docs: Add page for getting started with CMake	2024-07-02 21:35:24 +02:00
Ole Schütt	443130275c	precommit: Wrap Markdown lines after 100 characters	2023-11-14 12:47:36 +01:00
Rocco Meli	a1ef185ff9	Add short intro to Spack to documentation	2023-11-06 13:02:35 +01:00