249 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	54f70d9bca	added au2-sarc-zora-mp QA	2022-01-31 13:36:15 -08:00
edoapra	56f3a77a6e	added gcc-11 tests	2022-01-29 11:44:44 -08:00
edoapra	ddbabf7305	added gcc-11 tests	2022-01-29 11:17:56 -08:00
edoapra	56ab995d24	added ritddft tests	2022-01-26 14:53:48 -08:00
edoapra	757e66be6d	I_MPI_F90="$FC" for Intel mpif90	2022-01-19 10:30:48 -08:00
edoapra	2012513867	ifx bits	2022-01-18 21:32:34 -08:00
edoapra	ce652a00f3	use np=2 when BUILD_MPICH&MPI-PR	2022-01-18 10:23:21 -08:00
edoapra	bf7bb03a3f	build elpa only on linux	2022-01-17 22:53:40 -08:00
edoapra	668e225063	use only gcc for elpa	2022-01-17 21:23:31 -08:00
edoapra	c382cd3f50	use only gcc for elpa	2022-01-17 21:00:21 -08:00
edoapra	6fff6401f5	disable elpa for gcc <8	2022-01-17 20:31:40 -08:00
edoapra	e46f64d511	extra pkg for rocm	2022-01-14 14:21:47 -08:00
edoapra	d97ff58fab	install rocm from /etc/apt/	2022-01-14 13:29:39 -08:00
edoapra	7c56a70dd7	install rocm from /etc/apt/	2022-01-14 13:03:48 -08:00
edoapra	5431457348	LD_LIBRARY_PATH fix for amdflang	2022-01-13 21:34:17 -08:00
edoapra	db6c6b2cbf	fix for amdflang install	2022-01-13 20:36:28 -08:00
edoapra	32f1f310f7	added amdflang from rocm 4.5.2	2022-01-13 18:47:49 -08:00
edoapra	678757d49a	fix nvhpc deb file name	2022-01-10 16:31:14 -08:00
edoapra	f7eab55ff2	nvidia hpc sdk 22.1 & aocc 3.2.0	2022-01-10 16:22:38 -08:00
edoapra	cc8090ab21	fix file name	2022-01-10 13:40:10 -08:00
edoapra	c7ddf28da9	update for MacOS oneapi 2022.1	2022-01-10 10:26:21 -08:00
Edoardo Aprà	0e55b84bbd	nvidia sdk 21.11	2021-12-24 10:40:01 -08:00
Edoardo Aprà	b31dbcea32	nvidia sdk 21.11	2021-12-24 07:45:18 -08:00
edoapra	484cc6653a	fix 5883b854d7	2021-11-09 19:27:39 -08:00
edoapra	5883b854d7	pass NWCHEM_EXECUTABLE to skip build	2021-11-09 18:50:07 -08:00
Yuri Victorovich	7b3d60dce7	Fix bash shebangs: make /usr/bin/env find bash in paths ... This is needed on FreeBSD and other systems where bash isn't located in /bin/bash.	2021-11-07 14:06:22 -08:00
edoapra	082a98a3f6	use python@3.10 on macos	2021-11-01 16:29:35 -07:00
edoapra	63bc0ae7d4	added step with USE_INTERNALBLAS	2021-10-24 19:38:22 -07:00
edoapra	270aec5260	new hack to fix brew gfortran	2021-10-14 22:05:21 -07:00
edoapra	43193ef558	do not build elpa with gfortran-abc	2021-10-14 22:05:20 -07:00
edoapra	42e5a9c037	added automake and autoconf to brew	2021-10-14 22:05:20 -07:00
edoapra	334c050c7d	added Elpa tests	2021-10-14 22:05:20 -07:00
edoapra	4dff7e85c2	nvhpc 21.9	2021-10-08 18:48:52 -07:00
edoapra	7efa513a4f	nvhpc 21.9	2021-10-08 17:33:55 -07:00
edoapra	f0d6e22d88	update for MacOS oneapi 2021.4	2021-10-08 17:33:23 -07:00
edoapra	569c52f387	do not build mpich for nvfortran/aarch64 [do_extra_archs]	2021-09-30 13:50:28 -07:00
edoapra	98eb7eb276	do not build mpich for nvfortran/aarch64	2021-09-30 10:03:35 -07:00
edoapra	deb590d7f9	switch to amp 13.0-6 and aocc 3.1.0	2021-09-10 19:16:48 -07:00
edoapra	f798cb1906	nvhpc 21.7	2021-09-09 11:12:24 -07:00
edoapra	dc5705bebc	pass APT_KEY_DONT_WARN_ON_DANGEROUS_USAGE to sudo apt-key	2021-07-29 13:52:05 -07:00
edoapra	0d2085bf2e	check exit code for intel ubuntu installs	2021-07-29 11:56:29 -07:00
edoapra	30d26dc066	use 2021.3 update for MacOS Intel OneAPI	2021-07-23 19:43:53 -07:00
edoapra	174c628aa3	use 2021.3 update for MacOS Intel OneAPI	2021-07-23 19:43:39 -07:00
edoapra	00fbd1f93d	force BUILD_MPICH on Ubuntu github actions	2021-07-08 14:51:53 -07:00
edoapra	aa4866e0b0	do not redefine FDEBUG	2021-07-08 14:51:53 -07:00
edoapra	ab3c7f177a	added libxc_he2+	2021-07-01 08:07:24 -07:00
edoapra	ec6d083c4d	set CC=cc when unset	2021-06-28 21:19:33 -07:00
edoapra	5ffbab276d	set CC=cc when unset	2021-06-28 21:13:10 -07:00
edoapra	c2e59f9212	caching intel install on macos	2021-06-23 16:40:24 -07:00