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Code Issues Projects Releases Packages Wiki Activity Actions 4
31774 commits 19 branches 20 tags 385 MiB
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99 commits

Author SHA1 Message Date
edoapra
92e30f0323
longer qas on macos 2022-08-18 10:48:44 -07:00
edoapra
a6bd4da5de
macos debris cleanup 2022-08-17 14:19:35 -07:00
edoapra
d0802a7102
macos tests 2022-08-17 14:09:50 -07:00
edoapra
e931f5811a
SOCKETS not working on aarch64 [travis skip] 2022-08-16 17:44:43 -07:00
edoapra
dfd6d60fe4
re-enabled macos [travis skip] 2022-08-16 16:57:11 -07:00
edoapra
c8cd501871
replace MKL with OpenBLAS because of https://github.com/nwchemgit/nwchem/issues/567 2022-04-04 09:30:38 -07:00
edoapra
6fb3c37800
replace MKL with OpenBLAS because of https://github.com/nwchemgit/nwchem/issues/567 2022-04-01 16:03:46 -07:00
edoapra
2b7b51191f
use python3.8 to avoid intel python 2022-03-29 16:19:44 -07:00
edoapra
17b56d925e
switch to ifort from oneapi & aocc 3.2.0 2022-03-28 12:14:12 -07:00
Jeff Hammond
d4e07ae0b8 fix the type 
PYTHONVERSON should by PYTHONVERSION

Signed-off-by: Jeff Hammond <jeff.science@gmail.com>
 2022-03-07 12:46:14 +02:00
edoapra
34ad66599a
avoid intel python 2022-02-01 11:47:49 -08:00
edoapra
29e75d12bd
execute oneapi setvars.sh only once [ci skip] 2022-01-20 17:14:32 -08:00
edoapra
54362d3897
gitlab ci ifx step 2022-01-19 17:58:33 -08:00
edoapra
bc31793716
fix for ed22f191e3: bring back centos runs [ci skip] 2022-01-13 11:07:15 -08:00
edoapra
ed22f191e3
disabled gitlab macos steps 2021-12-10 17:17:28 -08:00
edoapra
3e4b3da6a1
added libxc to gitlab ci 2021-07-01 16:53:52 -07:00
edoapra
3281c04207
run gitlab ci only on master, release and hotfix branches 2021-05-28 10:15:02 -07:00
edoapra
cc60f0d1a8
do not build pyton on 32bit linux 2021-05-25 12:53:28 -07:00
edoapra
39eea3f7c0
switch to comipiled python395 on i386 [ci skip] 2021-05-20 21:57:57 -07:00
edoapra
4c21d64b14
use python3.9 on macos gitlabci [ci skip] 2020-11-13 09:59:22 -08:00
edoapra
4b7f1f75d8
removed 64_to-32 step [travis skip] 2020-07-29 15:37:11 -07:00
edoapra
eec8554aab
reversed 900518a9c6 2020-07-28 16:25:01 -07:00
edoapra
900518a9c6
back to SCALAPACK_SIZE=4 to confirm that SCALAPACK_SIZE=8 breaks on Centos8 2020-07-27 10:24:36 -07:00
edoapra
751bad61ae
try SIZE=8 for BUILD_OPENBLAS & _SCALAPACK [travis skip] 2020-07-15 22:29:07 -07:00
edoapra
0fc75c7b4c
USE_DCOMBSSQPATCH for macos to avodi symbol duplicate 2020-07-12 10:34:48 -07:00
edoapra
e5554d8b52
fix macos path [travis skip] 2020-07-11 19:47:27 -07:00
edoapra
f9c5b6989f
used python@3.8 in gitlab ci [travis skip] 2020-07-11 19:36:57 -07:00
edoapra
2bbac2e5a4
definition of NWCHEM_TOP [travis skip] 2019-12-06 09:09:42 -08:00
edoapra
4dee93e493
more centos fixes [travis skip] 2019-12-05 10:20:51 -08:00
edoapra
2ae91fdebb
fixing centos8 vm [travis skip] 2019-12-04 15:28:36 -08:00
edoapra
59a3e54b56
define NWCHEM_TOP for centos8 VM [travis skip] 2019-12-04 14:47:06 -08:00
edoapra
316c27b8c1
trying to fix intel/flang builds [travis skip] 2019-12-03 18:46:01 -08:00
edoapra
dc2f93fcec
switch to intel 2019 [travis skip] 2019-12-03 17:20:29 -08:00
edoapra
b6dbd4ad17
back to intel2018 [travis skip] 2019-12-02 18:34:45 -08:00
edoapra
73a7b843c0
intel 2021 sourcing [travis skip] 2019-12-02 18:20:12 -08:00
edoapra
f397620d0c
switch to ifort 2021 [travis skip] 2019-12-02 15:32:58 -08:00
edoapra
88dea0efe2
restored centos8 build tag [travis skip] 2019-12-02 10:49:34 -08:00
edoapra
ebce8a0d01
scp hack between host and guest to get VBox going [travis skip] 2019-11-22 14:52:03 -08:00
edoapra
5f6a81ee02
PATH for centos 8 run stage [travis skip] 2019-11-22 11:01:43 -08:00
edoapra
ab67be90ac
added NWCHEM_TOP in test stage [travis skip] 2019-11-21 19:05:42 -08:00
edoapra
0944eb5ca1
fix typo [travis skip] 2019-11-21 16:08:12 -08:00
edoapra
8f3d6da05b
replace buggy CI_PROJECT_DIR with NWCHEM_TOP [travis skip] 2019-11-21 16:05:48 -08:00
edoapra
6c483160fe
CI_PROJECT_DIR not working on VirtualBox [travis skip] 2019-11-21 15:43:09 -08:00
edoapra
315df226b6
rhel6 replaced by centos8 vm [travis skip] 2019-11-21 13:47:17 -08:00
edoapra
a769fe2121
except section removed [ci skip] 2019-11-01 11:33:40 -07:00
edoapra
5a8f58369a
gitlab fix for long QA [travis skip] 2019-10-29 15:25:02 -07:00
edoapra
9290fe3cb2
print env variables [travis skip] 2019-10-29 14:19:21 -07:00
edoapra
60e4316b79
mpits for rhel6 2019-10-28 17:45:27 -07:00
edoapra
de8e6e0381
fast QA for LINUX 2019-10-28 10:37:03 -07:00
edoapra
c76b04abc1
large QA tests on bionic [travis skip] 2019-10-26 23:06:45 -07:00