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  • 0c3f7db327 FIX: opal-x gitlab -> github main germann_e 2025-12-18 10:24:58 +01:00
  • c7e0cb03fa FIX: old IPPL modules germann_e 2025-12-03 13:11:22 +01:00
  • 14e175d044 FIX: old IPPL modules germann_e 2025-12-03 12:52:14 +01:00
  • 17159a0dbb ADD: configs/ folders with user site config and svcusr-spack specific config Gitea Actions 2025-11-26 11:07:41 +01:00
  • 981e93dae4 FIX: remove old compilers Gitea Actions 2025-11-26 11:05:12 +01:00
  • b227d9deba FIX: prefer cuda@12.6.0 and remove cuda externals Gitea Actions 2025-11-19 11:37:40 +01:00
  • d47d405cb8 FIX: cp2k cpu/a100 builds germann_e 2025-11-19 11:34:52 +01:00
  • 4043993193 FIX: libcxi and cie version so that it fits with HPE versioning Gitea Actions 2025-11-18 16:41:09 +01:00
  • 50cbf875eb FIX: SLES15.6 updates Gitea Actions 2025-11-18 16:27:16 +01:00
  • a577c9260f FIX: cp2k runners germann_e 2025-11-14 16:32:00 +01:00
  • fc8d405a5b ADD: cp2k workflows germann_e 2025-11-07 16:07:36 +01:00
  • be18644228 FIX: clean up aarch64 admin testing env germann_e 2025-08-19 15:00:31 +02:00
  • fcf27efafc FIX: clean-up aarch64 env and sort envs germann_e 2025-08-19 14:55:31 +02:00
  • 6213d0a9d6 FIX: clean-up x86_64 admin envs svcusr-spack (Resp. Germann Elsa Sylvia) 2025-08-19 14:42:26 +02:00
  • e3223c7e05 FIX: change sbatch partitions to hourly germann_e 2025-08-07 09:11:02 +02:00
  • 0600d4c2c4 FIX: remain tmerlin7 germann_e 2025-08-06 09:13:29 +02:00
  • 0919f3cb7a FIX: fftw/3.3.10.6-omp -> fftw/3.3.10.6-qbxu-omp module q-e cpu germann_e 2025-08-06 09:00:43 +02:00
  • 4b171afb69 FIX: use Burst instead of Sichle to submit jobs germann_e 2025-08-05 15:05:51 +02:00
  • b4dbf19b19 FIX: remove Merlin6/Ra support svcusr-spack (Resp. Germann Elsa Sylvia) 2025-07-24 14:32:40 +02:00
  • 0f71716d9b Spack v1.0.0 svcusr-spack (Resp. Germann Elsa Sylvia) 2025-07-24 14:00:29 +02:00
  • a7d0c42d39 FIX: module for opal-x GH germann_e 2025-07-01 09:26:48 +02:00
  • 49a9018d4c FIX: new openmpi for opal-x germann_e 2025-06-30 13:05:55 +02:00
  • 63d0a437a3 FIX: retrograde git to 2.42.0 for GH germann_e 2025-06-05 09:08:53 +02:00
  • 18801845c2 FIX: QE GH now up-to-date germann_e 2025-06-02 16:15:58 +02:00
  • c7658827e0 ADD: module purge for gh sbatch germann_e 2025-05-21 15:05:45 +02:00
  • 47c6d98a13 FIX: ippl workflows germann_e 2025-05-21 15:01:22 +02:00
  • 317910a2cd FIX: opal-x workflows germann_e 2025-05-21 14:16:56 +02:00
  • 29e5454f49 ADD: opal-x GH workflow germann_e 2025-05-21 13:52:04 +02:00
  • 99fd9f2f23 ADD: opal-x A100 workflow germann_e 2025-05-21 13:42:54 +02:00
  • b7f2a28f73 FIX: use Sichle instead of Burst slurm cluster germann_e 2025-05-19 13:40:34 +02:00
  • 04e6d5881e FIX: correct runner label germann_e 2025-05-19 10:04:37 +02:00
  • 2b8a4c7dbc FIX. remove .gitlab-ci.yml germann_e 2025-05-15 14:35:59 +02:00
  • 373745331e ADD: CPU sbatch script germann_e 2025-05-15 13:50:31 +02:00
  • 83b53f8b6b ADD: q-e_gh_merlin7.yml germann_e 2025-05-15 13:38:43 +02:00
  • a8da8cc2cf ADD: QE A100 workflow germann_e 2025-05-14 08:54:14 +02:00
  • 797ce481dc ADD: QE CPU workflow germann_e 2025-05-12 16:53:36 +02:00
  • 27908ae6e1 FIX: remove any compilers.yaml (obsolete) germann_e 2025-05-09 10:28:04 +02:00
  • db1ca0404c FIX: remove cmake: require: '%gcc@7.5.0' svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-21 11:10:50 +01:00
  • 3355d11e53 FIX: add stable specs directly in unstable so that modules work svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-21 11:08:32 +01:00
  • 5aafd5e07a FIX: hardcode user path in lua module extension svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-20 15:54:23 +01:00
  • 24cbe4db11 ADD: templating to fix hierarchical module for users svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-20 15:43:30 +01:00
  • 8b657a6026 ADD: default correct openmpi variants x86_64 SLES svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-17 14:03:28 +01:00
  • b9d0438497 ADD: default correct openmpi variants aarch64 SLES svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-17 13:59:01 +01:00
  • 469b3d766b FIX: forgotten merge svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-13 09:03:03 +01:00
  • 49656625f1 FIX: forgotten libfabric@1.15.2.0 svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-13 08:58:13 +01:00
  • 35b3d68d25 FIX: libfabric/1.15.2.0 -> libfabric/1.22.0 germann_e 2025-03-13 08:52:47 +01:00
  • b9c35c6298 FIX: put libfabric buildable:true svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-12 09:19:06 +01:00
  • 88aacdb5c7 ADD: openmpi@main variable requirement germann_e 2025-03-12 09:14:02 +01:00
  • ad5ad776d6 FIX: Env testing, overwrite old compilers svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-12 09:08:37 +01:00
  • fbddaa122b ADD: xpmem back (aarch64) svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-12 08:48:37 +01:00
  • 177feba2d4 ADD: env testing must be clean before new installation svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-12 08:45:51 +01:00
  • 1fe2050e04 ADD: unstable lock file svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-12 08:44:31 +01:00
  • 16d320e06e ADD: new openmpi compilers svcusr-spack (Resp. Germann Elsa Sylvia) 2025-03-12 08:44:03 +01:00
  • dc216a4094 ADD: osu-micro-benchmarks + py-torch SLES15 unstable svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-28 10:19:28 +01:00
  • 2c628dc755 ADD: dssp & relion ^cray-mpich aarch64 unstable svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-21 09:22:04 +01:00
  • 154f68edc3 ADD: LD_LIBRARY_PATH: /opt/cray/libfabric/1.15.2.0/lib64 to cray-mpich modules svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-21 09:19:30 +01:00
  • 243615407e ADD: dmtcp x86_64 unstable SLES svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-20 08:49:43 +01:00
  • a0bcbb5c1d FIX: put nvhpc@24.11 aarch64 in unstable env svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-05 16:07:26 +01:00
  • f3f6d88d09 ADD: q-e@7.4 +mpi+mpigpu+cuda hdf5=paralla GH200 svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-05 16:03:32 +01:00
  • 853fa71cb1 ADD: +munge requirement for pmix svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-03 16:35:03 +01:00
  • 723128554d FIX: providers for quantum-espresso svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-03 16:32:41 +01:00
  • 65f678efe7 FIX: remove wrong q-e package on spack-psi svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-03 16:31:46 +01:00
  • 8068f5cfba ADD: nvhpc@24.11 compiler spack/develop sles/aarch64 svcusr-spack (Resp. Germann Elsa Sylvia) 2025-02-03 16:31:04 +01:00
  • 7df462761b FIX: nvhpc module for aarch64 sles15 svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 14:36:21 +01:00
  • c199d3f74b FIX: mpi always taking cray-mpich problem svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 14:35:13 +01:00
  • b453b0739d FIX: nvhpc@23.9 modules svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 09:54:48 +01:00
  • aa9386d3ff FIX: remove cray-hdf5 svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 09:54:25 +01:00
  • aa08c30d0b ADD: gcc%9.5.0 compiler sles15/x86_64 svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 09:53:49 +01:00
  • 9687040f67 ADD: q-e-sirius%gcc@9.5.0 sles15/x86_64/unstable svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 09:53:18 +01:00
  • 75de5a0bf0 ADD: compilers spec to sles15/x86_64/stable svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 09:49:40 +01:00
  • 329228992a ADD: compilers spec to sles15/x86_64/stable svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 09:49:21 +01:00
  • 6176517a33 FIX: remove gtkplus as external svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 09:16:09 +01:00
  • b2b8380401 ADD: relion@5.0.0 GPU sles15/aarch64/unstable svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-27 09:14:00 +01:00
  • 89cb0ee34f FIX: wrong openmpi spec (aarch64 sles) svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-09 14:10:09 +01:00
  • c7a80262eb ADD: compiler as external package (x86_64) svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-08 08:49:09 +01:00
  • f903a3188a ADD: relion PSI package svcusr-spack (Resp. Germann Elsa Sylvia) 2025-01-08 08:45:19 +01:00
  • d5569a0d9f ADD: compilers to unstable SLES aarch64 svcusr-spack (Resp. Germann Elsa Sylvia) 2024-12-13 11:44:10 +01:00
  • 170fc78d4d FIX: add aarch64 compilers as packages and remove them from compilers.yaml svcusr-spack (Resp. Germann Elsa Sylvia) 2024-12-13 10:11:31 +01:00
  • f8f98c6db9 FIX: remove wrong relion spec GH aarch64 svcusr-spack (Resp. Germann Elsa Sylvia) 2024-12-11 13:21:16 +01:00
  • fef3198253 ADD: relion@4.0.1 GH svcusr-spack (Resp. Germann Elsa Sylvia) 2024-12-09 13:49:30 +01:00
  • 6c7b80c0de ADD: OMPI_MCA_mtl_ofi_disable_hmem: 'true' to openmpi module creation germann_e 2024-12-06 15:48:06 +01:00
  • 6bd4af4b36 FIX: remove +pmi for openmpi > 5.0.0 svcusr-spack (Resp. Germann Elsa Sylvia) 2024-12-06 15:27:23 +01:00
  • dd8b8f150c ADD: cp2k aarch64 GH svcusr-spack (Resp. Germann Elsa Sylvia) 2024-12-06 15:24:42 +01:00
  • bae6939841 ADD: opal-x GH200 svcusr-spack (Resp. Germann Elsa Sylvia) 2024-11-13 16:34:31 +01:00
  • d033681018 ADD: aarch64 to be available for users and admin on login nodes germann_e 2024-11-13 16:25:58 +01:00
  • 030373be10 ADD: gromacs and ffbidx svcusr-spack (Resp. Germann Elsa Sylvia) 2024-11-12 18:17:53 +01:00
  • b0c927f440 ADD: gcc@=13.2.0 sles15, aarch64 svcusr-spack (Resp. Germann Elsa Sylvia) 2024-11-11 16:22:52 +01:00
  • 8a455a7727 ADD: opal-x build back for A100 svcusr-spack (Resp. Germann Elsa Sylvia) 2024-11-11 15:32:30 +01:00
  • 8354132792 ADD: hdf5%intel +mpi (openmpi) sles unstable svcusr-spack (Resp. Germann Elsa Sylvia) 2024-11-07 15:58:33 +01:00
  • 114945acd4 ADD: sles unstable: hdf5-parallel ^openmpi svcusr-spack (Resp. Germann Elsa Sylvia) 2024-11-07 14:34:03 +01:00
  • bc38ceb9c9 FIX: spelling (cxx_exceptions) germann_e 2024-11-07 10:53:06 +01:00
  • 65e12fc811 FIX: remove preference for cray-mpich and use pmix germann_e 2024-11-07 10:45:22 +01:00
  • 9553585216 FIX: put default mpi type pmix for sles mpi modules germann_e 2024-11-07 09:28:55 +01:00
  • 167ff7e556 ADD: personalised spack repos germann_e 2024-11-05 15:32:49 +01:00
  • 52d3517016 ADD: pmi-interface=pmi2 for openmpi merlin6/ra svcusr-spack (Resp. Germann Elsa Sylvia) 2024-11-05 10:51:56 +01:00
  • d19f9846aa FIX: add rhel8 concretization to rhel7 and vice versa germann_e 2024-11-05 10:41:08 +01:00
  • d5fe042967 Update file README.md germann_e 2024-11-04 15:33:25 +01:00
  • 22a9a652b4 FIX: remaining rhel7 variables for rhel8 env germann_e 2024-11-04 15:22:48 +01:00
  • 33f1d144dc FIX: modules entry missing in compilers.yaml (SLES) svcusr-spack (Resp. Germann Elsa Sylvia) 2024-11-04 13:58:33 +01:00
  • d64194ccb3 ADD: rhel8 envs germann_e 2024-10-29 17:13:11 +01:00