750 commits

Author	SHA1	Message	Date
edoapra	a0824916fd	fix bandit text warnings	2026-06-29 15:24:48 -07:00
edoapra	610289b7b8	fix caching	2026-02-27 17:57:32 -08:00
edoapra	e7d40797a0	elpa update	2026-02-23 10:48:06 -08:00
edoapra	30057207c1	use OpenBLAS from OpenMathLib	2025-12-22 14:58:39 -08:00
edoapra	5b98776e49	branch check in release tarball creation [ci skip]	2025-10-24 15:26:10 -07:00
edoapra	5eab0573f7	fix branch option [ci skip]	2025-10-19 12:46:18 -07:00
edoapra	9d09a80b83	added bsemol to NWCHEM_MODULES [ci skip]	2025-10-19 12:39:40 -07:00
edoapra	21e35184fa	added branch option [ci skip]	2025-10-19 12:38:06 -07:00
edoapra	0ba605acf1	added branch option [ci skip]	2025-10-19 12:29:14 -07:00
edoapra	d50cb21f91	update [ci skip]	2025-10-09 16:34:40 -07:00
edoapra	d36d2f95e5	added argument to store files in a chache dir	2024-10-04 17:44:35 -07:00
edoapra	a388874c3e	URL updates https://github.com/nwchemgit/nwchem/issues/1011 [ci skip]	2024-08-30 12:25:51 -07:00
edoapra	ba3d9f8c66	fix for TOPDIR	2024-08-27 19:19:58 -07:00
edoapra	cec9ce7a00	2 args for script: version & date [ci skip]	2024-08-22 17:50:39 -07:00
edoapra	ca4736e3a7	remove cache txt files	2024-08-22 13:15:53 -07:00
edoapra	8f6cb6c2eb	723	2024-08-22 10:42:21 -07:00
edoapra	510a67d9f6	cleanup	2024-08-21 18:19:58 -07:00
edoapra	b922b12bbf	BLAS_SIZE	2024-08-21 16:35:19 -07:00
edoapra	ef195be0b2	723 update	2024-08-21 16:25:33 -07:00
edoapra	b7f5b5743f	bump actions/checkout and actions/cache [ci skip]	2024-01-22 10:00:09 -08:00
edoapra	dfdb9a0b9e	log compilation [ci skip]	2024-01-21 11:25:55 -08:00
edoapra	147529ce2b	formatting [ci skip]	2024-01-20 11:52:43 -08:00
edoapra	c18cbe65d4	formatting [ci skip]	2024-01-20 11:46:24 -08:00
edoapra	affad5f087	formatting [ci skip]	2024-01-20 11:30:25 -08:00
edoapra	900e7cc7f7	formatting [ci skip]	2024-01-20 11:20:01 -08:00
edoapra	a4689b1bfa	update [ci skip]	2024-01-20 11:12:03 -08:00
edoapra	9465234c90	main branch [ci skip]	2023-11-23 12:00:51 -08:00
edoapra	ec85755998	updates [ci skip]	2023-11-23 00:18:15 -08:00
edoapra	4e0d2f7838	removed erroneous last commit [ci skip]	2023-10-16 10:16:23 -07:00
edoapra	4ef42a7b86	pkg cleanup [ci skip]	2023-10-04 12:37:07 -07:00
edoapra	caba4aaabf	pkg cleanup [ci skip]	2023-10-04 11:41:12 -07:00
edoapra	e80eb43a85	no build_env.sh [ci skip]	2023-09-29 12:08:26 -07:00
edoapra	b42fc11d9e	update [ci skip]	2023-09-28 22:45:01 -07:00
edoapra	e849d9d66a	full repository name for reusable workflow [ci skip]	2023-09-27 16:02:30 -07:00
edoapra	6291394a6d	full repository name for reusable workflow [ci skip]	2023-09-27 14:56:55 -07:00
edoapra	07b4c616dc	test github action [ci skip]	2023-09-21 16:56:55 -07:00
edoapra	0e3ff1b23f	UCX env [ci skip]	2023-08-12 19:55:01 -07:00
edoapra	ebd8bd6047	nwversion label [ci skip]	2023-07-20 19:09:27 -07:00
edoapra	486b73725c	fetch QA from branch in use [ci skip]	2023-07-20 16:21:21 -07:00
edoapra	d9fb1ad7ff	added version to log [ci skip]	2023-07-14 09:27:00 -07:00
edoapra	ca075e0ccb	mathjax updates [ci skip]	2023-06-29 12:42:53 -07:00
edoapra	49c9103c83	add nwversion to QA dirname [ci skip]	2023-06-21 09:28:42 -07:00
edoapra	5578c2aa45	remove navigation expansion [ci ckip]	2023-06-14 20:26:06 -07:00
edoapra	f35132f12f	used default fonts for faster loading [ci skip]	2023-06-14 19:10:54 -07:00
edoapra	1f941b9cd2	chmod [ci skip]	2023-06-14 13:32:24 -07:00
Daniel Mejia-Rodriguez	479934e8b5	Update nw_spectrum.py ... Close files at the end	2023-06-14 12:30:10 -07:00
edoapra	f90b3ac463	fix error spotted by flake8	2023-06-14 11:09:13 -07:00
Matt Ernst	d8347091b1	update from https://nwchemgit.github.io/Special_AWCforum/sp/id5655.html	2023-06-14 10:58:08 -07:00
edoapra	414c64e420	homepage in navigation [ci skip]	2023-06-13 18:11:51 -07:00
edoapra	a9470844f4	mkdocs extensions for image alignment [ci skip]	2023-06-13 16:00:47 -07:00