130 commits

Author	SHA1	Message	Date
edoapra	dc2a2f1fe9	build USE_INTERNALBLAS g.a. step with SIZE=4 and USE_64TO32=y	2022-02-02 11:04:33 -08:00
edoapra	ddbabf7305	added gcc-11 tests	2022-01-29 11:17:56 -08:00
edoapra	e5b9b221be	cache key refresh because of libext changes	2022-01-28 19:32:16 -08:00
edoapra	dc3a772b6c	cache key refresh because of new libxc version	2022-01-28 18:16:44 -08:00
edoapra	207612324f	SIMINT_MAXAM increased to 4 for rittdft tests. cache key updated	2022-01-26 16:10:21 -08:00
edoapra	d3a2991ed7	check pspw_md QA output	2022-01-19 12:00:12 -08:00
edoapra	61aac67323	ubuntu 1804 for ifx	2022-01-19 10:31:22 -08:00
edoapra	0877f2335a	added ifx steps	2022-01-18 21:34:39 -08:00
edoapra	bea65b2ff5	used ubuntu 20.04 by default	2022-01-17 20:31:48 -08:00
edoapra	acb2293a58	refresh cache key	2022-01-17 19:29:44 -08:00
edoapra	7c56a70dd7	install rocm from /etc/apt/	2022-01-14 13:03:48 -08:00
edoapra	8dfba24f9d	added tce step for amdflang	2022-01-14 11:20:12 -08:00
edoapra	cb33a1fddf	added amdflang/amdclang step	2022-01-13 18:49:17 -08:00
edoapra	f7eab55ff2	nvidia hpc sdk 22.1 & aocc 3.2.0	2022-01-10 16:22:38 -08:00
edoapra	33d5a81a28	switch to xcode 13.2.1	2022-01-10 16:07:22 -08:00
edoapra	70cbca23d9	cache key refresh	2022-01-10 12:04:14 -08:00
edoapra	5701656189	moved to the nwchem-wiki repository [ci skip]	2022-01-06 22:15:05 -08:00
edoapra	72851ee822	enabled push changes [ci skip]	2022-01-04 12:28:49 -08:00
edoapra	aea7446b2c	rmoved sparse checkout of archived forum [ci skip]	2022-01-04 11:45:16 -08:00
edoapra	b1d9ce5cb1	sparse checkout of archived forum [ci skip]	2022-01-04 11:42:37 -08:00
edoapra	9aea62fd73	git clone -b [ci skip]	2022-01-04 11:37:13 -08:00
edoapra	85f066db7d	tweak repository name [ci skip]	2022-01-04 11:19:03 -08:00
edoapra	f5162b028e	commit_changes.sh script [ci skip]	2022-01-04 11:12:08 -08:00
edoapra	4ae354d10e	commit_changes.sh script [ci skip]	2022-01-04 11:07:29 -08:00
edoapra	32cb1c9090	sparse checkout of nwchem/contrib/mkdocs [ci skip]	2022-01-04 11:01:01 -08:00
edoapra	a4f4bbb59e	sparse checkout of nwchem/contrib/mkdocs [ci skip]	2022-01-04 10:58:59 -08:00
edoapra	10db987068	sparse checkout of nwchem/contrib/mkdocs [ci skip]	2022-01-04 10:55:51 -08:00
edoapra	49a1c68fdf	changed checkout depth [ci skip]	2022-01-03 19:16:23 -08:00
edoapra	8f1d6ea4b5	reduce output [ci skip]	2022-01-03 17:02:47 -08:00
edoapra	6352ac2d95	timestamp on commit message [ci skip]	2022-01-03 16:50:56 -08:00
edoapra	122916a218	commit changes [ci skip]	2022-01-03 16:37:56 -08:00
edoapra	762c8ee236	quieter rsync [ci skip]	2022-01-03 16:16:03 -08:00
edoapra	2c7b90601c	fix directory name [ci skip]	2022-01-03 16:11:09 -08:00
edoapra	08e13c1611	push to website repository [ci skip]	2022-01-03 16:06:09 -08:00
edoapra	2ccdb7473c	checkout website repository [ci skip]	2022-01-03 15:56:04 -08:00
edoapra	13543195c5	do build the website [ci skip]	2022-01-03 15:01:42 -08:00
edoapra	a887b0c57d	move checkout steps into github actions [ci skip]	2022-01-03 14:45:25 -08:00
edoapra	7f0b3f8db9	mkdocs build [ci skip]	2022-01-03 14:45:16 -08:00
edoapra	9ba9a7a166	update [ci skip]	2022-01-03 13:47:14 -08:00
edoapra	687bc2c71e	automate mkdocs website creation [ci skip]	2022-01-03 13:34:15 -08:00
Edoardo Aprà	c1d3feb7e3	chaneg cache key to test simint changes	2021-12-09 12:38:10 -08:00
Christian Clauss	0139fb031d	Make bandit a mandatory test and fix some typos	2021-10-30 02:42:13 +02:00
Christian Clauss	4a7fa658bb	Make bandit a mandatory test and fix some typos	2021-10-30 02:11:52 +02:00
Christian Clauss	1b522990be	GitHub Action to lint Python code ... Identify those files that are not yet Python 3 compatible...	2021-10-29 15:08:36 +02:00
edoapra	63bc0ae7d4	added step with USE_INTERNALBLAS	2021-10-24 19:38:22 -07:00
edoapra	fb31ba9e71	changed cache key to refresh cache	2021-10-15 18:30:58 -07:00
edoapra	e54b4e71e5	use default gfortran for matrix builds	2021-10-14 22:05:21 -07:00
edoapra	3c94d3642f	more pkgs for aarch64 [do_extra_archs]	2021-09-30 10:04:06 -07:00
edoapra	c71033812e	changed cache key to refresh cache [do_extra_archs]	2021-09-29 16:44:20 -07:00
edoapra	17aedbcdf4	add use_libxc on ubuntu gcc-10 step	2021-07-29 11:57:10 -07:00