292 Commits

Author SHA1 Message Date
fe2047881a FIX: put correct unstable env matrix specs 2024-06-13 11:16:05 +02:00
aa50c8a638 FIX: force makefile build_system for cp2k merlin6 2024-06-13 10:36:30 +02:00
22ce29b4a9 FIX: slurm pmi-interface variant doesn't exist 2024-06-13 08:49:08 +02:00
21c6a85de5 FIX: remove upstreams for SLES 2024-06-12 16:04:55 +02:00
3708c98da0 ADD: opal@master ^openmpi as testing spec 2024-06-12 16:01:11 +02:00
a9d2bfea83 ADD: gcc@=12.3.0 compiler 2024-06-12 14:08:50 +02:00
0d159e73fa FIX: remove upstreams and use almost common buildcache 2024-06-12 14:02:24 +02:00
8526963816 FIX: remove include_concrete 2024-06-12 08:49:24 +02:00
0d0209bbc7 FIX: remove include_concrete 2024-06-11 14:14:53 +02:00
bcae1a2631 ADD: gcc@12.3.0 in unstable env 2024-06-11 08:33:38 +02:00
52a322ceed Rhel7 2024-06-10 17:28:13 +02:00
331b563366 FIX: empty spec problem 2024-06-10 17:17:19 +02:00
343d9fbd9e FIX: empty spec problem 2024-06-10 17:05:22 +02:00
d40dc9adea FIX: indentation problems 2024-06-10 16:11:31 +02:00
b988e13c3f ADD: mirrors 2024-06-10 15:51:32 +02:00
a5b22ad8f8 ADD: x86_64 sysconfigs and envs 2024-06-10 11:15:18 +02:00
3d94253489 ADD: include_concrete for stable and unstable env 2024-06-07 20:39:59 +02:00
bad77c8664 FIX: variable is full path 2024-06-07 17:21:22 +02:00
e3ec5668ca ADD: unstable env for users 2024-06-07 16:59:21 +02:00
0cc22999b5 FIX: remove unnecessary env for now 2024-06-07 16:57:42 +02:00
4e3d3332bb FIX: clean restructure 2024-06-07 16:55:19 +02:00
309d54ff17 ADD: admin stable, unstable & testing env 2024-06-07 16:54:10 +02:00
bc1a1c1e16 FIX: remove relative path for user stable env 2024-06-07 12:52:25 +02:00
3b2f4008d5 FIX: restructure env 2024-06-07 12:45:53 +02:00
35336f53ef ADD: sysconfigs 2024-06-07 09:58:26 +02:00
1ed5f11250 ADD: stable env 2024-06-07 08:39:22 +02:00
107f3f1d76 FIX: use target for env and add stable env 2024-06-07 08:34:36 +02:00
1295f4db59 ADD: first commit 2024-05-16 11:01:56 +02:00
934b57b1b4 FIX: spack v0.20.0 packages.yaml module error 2023-05-26 11:44:06 +02:00
49ac8bc5de FIX: spack develop modules.yaml problem + install new gromacs with openmpi 2023-05-05 12:53:40 +02:00
adb8e3eb09 Spack Prototype for PSI 2023-04-27 08:06:59 +00:00
9265090fbb Fixes, docu update 2022-12-02 10:27:46 +01:00
e4d5ad8aa4 ADD: ffbidx package 2022-11-24 12:43:23 +00:00
5bba76c3a0 Add pipeline 2022-10-24 10:29:57 +00:00
b51b0ed131 ADD: working pipeline to test HyQuas and HiQsimulator 2022-10-18 16:29:39 +02:00
c7120345ed RM: +mpi 2022-10-12 15:00:20 +02:00
5b667dff78 FIX: change cuda_arch 2022-10-12 11:08:01 +02:00
89cd768cf2 FIX: fix the cuda_arch on the fly and create dir 2022-10-11 17:14:15 +02:00
437fdc899f FIX: gpu node build 2022-10-11 15:13:16 +02:00
7702e47a9d FIX: cp2k installation 2022-10-07 13:36:36 +02:00
a91f7060d6 ADD: variant to hyquas package 2022-10-07 12:45:19 +02:00
6b31f09245 RM: pycache 2022-10-06 13:45:32 +02:00
39fcc0edba ADD: HyQuas package 2022-10-06 13:44:45 +02:00
74ce767ad6 FIX: py-networkx as run dep of py-projectq 2022-10-05 14:43:19 +02:00
d135d8cc45 ADD: own version of cp2k (fix oneapi) 2022-10-04 16:01:08 +02:00
6a880c9bc5 FIX: add hash to make sure every installation is unique 2022-10-04 15:47:23 +02:00
aeca31bb98 FIX: add unique python 2022-10-04 15:45:39 +02:00
5e3ebeb8dd FIX: typo 2022-10-04 15:44:02 +02:00
7e6d72d0f6 ADD: pgi@18.5 compiler 2022-10-04 15:43:01 +02:00
9499e06b75 FIX: relion matrix specs 2022-10-04 15:36:42 +02:00