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23789 commits 34 branches 26 tags 446 MiB
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36 commits

Author SHA1 Message Date
SY Wang
bb9ae24f89
Docker: Use Ubuntu 26.04 for toolchain testings (#5210) 2026-05-17 11:15:00 +02:00
Ole Schütt
665dafcec4 Docker: Simplify generate_dockerfiles.py 2025-07-24 15:48:42 +02:00
Matthias Krack
349f45176d Update profile name of 3rd party tests due to #4134 2025-04-12 13:26:51 +02:00
Matthias Krack
187c2c2c45 Re-add package mpi 2025-02-18 11:09:36 +01:00
Matthias Krack
798b731db4 Fix CP2K binary extension to be compliant with the aiida-cp2k plugin 2025-02-18 11:09:36 +01:00
Matthias Krack
99769ec4d1 Fix typo (slash at end of line) 2025-02-18 11:09:36 +01:00
Matthias Krack
df7a5c31cb Partially revert #3992 and apply alternative fix 2025-02-17 15:07:22 +01:00
Matthias Krack
3a88bc4878 Switch version from ssmp to psmp for AiiDA and ASE tests 
Reason: cp2k.ssmp and cp2k.sdbg binaries are no longer built with MPI
 2025-02-17 13:25:36 +01:00
Ole Schütt
ceb21baebc Docker: Skip SIRIUS in AiiDA test 2025-02-02 17:02:56 +01:00
Ole Schütt
83b56453e7 Docker: Move 3rd party tests to toolchain as they need libxc 2025-02-02 13:18:58 +01:00
Matthias Krack
48cc69b9ac Get AiiDA tests working again (except one test) 2024-11-06 19:29:42 +01:00
Ole Schütt
c75b9cced4 Docker: Make AiiDA test less broken 2024-11-06 00:13:02 +01:00
Ole Schütt
2fc5bdf080 Docker: Fix ASE, i-Pi, and AiiDA tests 2024-08-22 21:49:47 +02:00
Ole Schütt
c5411e048c Docker: Migrate ssmp test to CMake 2024-05-15 13:28:13 +02:00
Ole Schütt
f30e229226 Docker: Migrate ASE, AiiDA, i-PI, and Gromacs tests to CMake 2024-05-10 14:01:57 +02:00
Ole Schütt
2872709a98 Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Ole Schütt
47e8414d44 Docker: Copy logs into artifacts after failure 2023-12-12 18:09:04 +01:00
Ole Schütt
07faf07c41 Docker: Speedup AiiDA test by setting OMP_NUM_THREADS 2023-05-03 20:51:24 +02:00
Frederick Stein
41df8e9e1b Use mpiexec in favor of mpirun 
mpiexec is standardized whereas mpirun is not.
 2023-02-03 09:10:16 +01:00
Matthias Krack
a007b1b0cc Update test for aiida-cp2k (v1.5.0 -> v2.0.0b0) 2022-11-28 16:17:07 +01:00
Ole Schütt
9c6eb679e5 Docker: Fix PostgreSQL install for AiiDA test 2022-05-19 20:05:19 +02:00
Ole Schütt
e861a83b17 Docker: Move install dir to /opt/cp2k 2022-03-11 17:12:55 +01:00
Ole Schütt
f2768158e7 Docker: User build context for all images 2022-02-24 19:11:59 +01:00
Ole Schütt
5c1a921a00 Docker: Fix convention test 2022-02-05 00:56:02 +01:00
Ole Schütt
d59a3ad777 Format all shell scripts 2021-02-18 00:33:20 +01:00
Ole Schütt
283c0c5360 Docker: Improve error messages and comply with shellcheck 2020-07-10 22:50:35 +02:00
Aliaksandr Yakutovich
59d1c674f9 Simplify aiida test. 
This PR removes unnecessary setup that are taken care by the
pytest. In particular, those things are removed:
1) Postgres database setup
2) AiiDa profile setup
3) Computer and code setup
 2020-04-15 17:05:25 +02:00
Ole Schütt
eb50032c8f Docker: Abort AiiDA test after 30 minutes 2020-01-20 13:47:08 +01:00
Ole Schütt
dbebbfc6f3 Docker: Update AiiDA test to pytest 2019-11-06 17:24:40 +01:00
Ole Schütt
abbbcaa7c0 Docker: Update AiiDA test to Python3 2019-11-06 17:24:40 +01:00
Ole Schütt
92a38106d1 Docker: Fix AiiDA test 2019-09-08 23:54:13 +02:00
Ole Schütt
ac91bc3e39 Docker: Make test_ase.sh, test_i-pi.sh, and test_aiida.sh less noisy 2019-08-17 00:52:40 +02:00
Ole Schütt
d30ada61cb
Docker: Fix AiiDA test 2019-07-04 12:42:37 +02:00
Ole Schütt
165051c36d
Docker: Make build more quiet and resilient 2019-04-25 15:00:52 +02:00
Ole Schütt
8e1bbb0332 Docker: Fix AiiDA test 2019-03-30 18:26:03 +01:00
Ole Schütt
4a97bb7342
Docker: Major refactoring (#87) 2018-11-08 13:56:15 +01:00