HPCE/spack-psi
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  • 22ce29b4a9 FIX: slurm pmi-interface variant doesn't exist germann_e 2024-06-13 08:49:08 +02:00
  • 21c6a85de5 FIX: remove upstreams for SLES germann_e 2024-06-12 16:04:55 +02:00
  • 3708c98da0 ADD: opal@master ^openmpi as testing spec svcusr-spack (Resp. Germann Elsa Sylvia) 2024-06-12 16:01:11 +02:00
  • a9d2bfea83 ADD: gcc@=12.3.0 compiler germann_e 2024-06-12 14:08:50 +02:00
  • 0d159e73fa FIX: remove upstreams and use almost common buildcache germann_e 2024-06-12 13:43:20 +02:00
  • 8526963816 FIX: remove include_concrete germann_e 2024-06-12 08:49:24 +02:00
  • 0d0209bbc7 FIX: remove include_concrete germann_e 2024-06-11 14:14:53 +02:00
  • bcae1a2631 ADD: gcc@12.3.0 in unstable env germann_e 2024-06-11 08:32:43 +02:00
  • 9d12afb089 ADD: gcc@12.3.0 in unstable env rhel7 germann_e 2024-06-11 08:32:43 +02:00
  • 187bc51c9a Merge branch 'rhel7' into 'main' germann_e 2024-06-10 17:28:13 +02:00
  • 52a322ceed Rhel7 germann_e 2024-06-10 17:28:13 +02:00
  • 2968224eab FIX: gettext not buildable with system gcc germann_e 2024-06-10 17:27:50 +02:00
  • d3699e1b65 Merge branch 'rhel7' into 'main' germann_e 2024-06-10 17:17:34 +02:00
  • 331b563366 FIX: empty spec problem germann_e 2024-06-10 17:17:19 +02:00
  • bfe2b73b5d Merge branch 'rhel7' into 'main' germann_e 2024-06-10 17:05:43 +02:00
  • 343d9fbd9e FIX: empty spec problem germann_e 2024-06-10 17:05:22 +02:00
  • 804c1881f3 Merge branch 'rhel7' into 'main' germann_e 2024-06-10 16:11:51 +02:00
  • d40dc9adea FIX: indentation problems germann_e 2024-06-10 16:11:31 +02:00
  • 5884766a34 Merge branch 'rhel7' into 'main' germann_e 2024-06-10 15:52:07 +02:00
  • b988e13c3f ADD: mirrors germann_e 2024-06-10 15:51:32 +02:00
  • 89b0cfca0d Merge branch 'rhel7' into 'main' germann_e 2024-06-10 11:23:27 +02:00
  • a5b22ad8f8 ADD: x86_64 sysconfigs and envs germann_e 2024-06-10 11:15:18 +02:00
  • 3d94253489 ADD: include_concrete for stable and unstable env germann_e 2024-06-07 20:39:59 +02:00
  • bad77c8664 FIX: variable is full path germann_e 2024-06-07 17:21:22 +02:00
  • e3ec5668ca ADD: unstable env for users germann_e 2024-06-07 16:59:21 +02:00
  • 0cc22999b5 FIX: remove unnecessary env for now germann_e 2024-06-07 16:57:42 +02:00
  • 4e3d3332bb FIX: clean restructure germann_e 2024-06-07 16:55:19 +02:00
  • 309d54ff17 ADD: admin stable, unstable & testing env germann_e 2024-06-07 16:54:10 +02:00
  • bc1a1c1e16 FIX: remove relative path for user stable env germann_e 2024-06-07 12:52:25 +02:00
  • 3b2f4008d5 FIX: restructure env germann_e 2024-06-07 12:45:53 +02:00
  • 35336f53ef ADD: sysconfigs germann_e 2024-06-07 09:58:26 +02:00
  • 1ed5f11250 ADD: stable env germann_e 2024-06-07 08:39:22 +02:00
  • 107f3f1d76 FIX: use target for env and add stable env germann_e 2024-06-07 08:34:36 +02:00
  • 068efd0c6b ADD: extra version pkgs needed by alphafold germann_e 2024-05-31 12:42:24 +02:00
  • d71e6cea13 Update file README.md germann_e 2024-05-29 16:14:57 +02:00
  • 85b47c1834 ADD: README.md germann_e 2024-05-29 16:12:46 +02:00
  • 729882fb65 ADD: alphafold newest versions germann_e 2024-05-28 10:38:00 +02:00
  • dd6456d142 FIX: spack.pkg.builtin.cray_libsci germann_e 2024-05-23 15:24:38 +02:00
  • 628cf312d2 ADD: cray-libsci fix germann_e 2024-05-23 09:01:13 +02:00
  • 122d03222d FIX: remove harcoded hdf5 and boost version germann_e 2024-05-23 08:47:32 +02:00
  • a50e9c6253 FIX: remove openmpi and openblas hardcoded dependency germann_e 2024-05-17 14:44:01 +02:00
  • 1295f4db59 ADD: first commit germann_e 2024-05-16 11:01:56 +02:00
  • 934b57b1b4 FIX: spack v0.20.0 packages.yaml module error Germann Elsa Sylvia 2023-05-26 11:44:06 +02:00
  • e3ab57d525 Merge branch 'update_readme' into 'master' germann_e 2023-05-05 11:52:08 +00:00
  • 49ac8bc5de FIX: spack develop modules.yaml problem + install new gromacs with openmpi Germann Elsa Sylvia 2023-05-05 12:53:40 +02:00
  • 2c93b42fff Merge branch 'update_readme' into 'master' germann_e 2023-04-27 11:08:07 +00:00
  • 1f4913e199 FIX: update README.md Germann Elsa Sylvia 2023-04-27 13:02:10 +02:00
  • 8ad522dea8 Merge branch 'prototype' into 'master' germann_e 2023-04-27 08:07:00 +00:00
  • adb8e3eb09 Spack Prototype for PSI germann_e 2023-04-27 08:06:59 +00:00
  • 8a0d620eb0 Merge branch 'fix_go_pb' into 'master' germann_e 2023-02-27 09:54:16 +00:00
  • f2b7b418c0 FIX: fix go version to 1.18 Germann Elsa Sylvia 2023-02-27 09:40:04 +01:00
  • 2b3c7b876e Merge branch 'ffbidx' into 'master' germann_e 2022-12-02 10:34:38 +00:00
  • 9265090fbb Fixes, docu update Hans-Christian Stadler 2022-12-02 10:27:46 +01:00
  • 94c5886498 Update README.md germann_e 2022-11-30 09:30:41 +00:00
  • 8a4e4a5d84 Merge branch 'add_cache_cleaning' into 'master' germann_e 2022-11-25 10:32:24 +00:00
  • 55d09713fc FIX: add cache cleaning before installation Germann Elsa Sylvia 2022-11-25 10:29:22 +01:00
  • 0b817b2f6d Merge branch 'add_ffbidx' into 'master' germann_e 2022-11-24 12:43:24 +00:00
  • e4d5ad8aa4 ADD: ffbidx package germann_e 2022-11-24 12:43:23 +00:00
  • 6c025154ad Merge branch 'fix_09112022' into 'master' germann_e 2022-11-09 09:19:23 +00:00
  • 32565bb057 FIX: add new --add option to install cmd germann_e 2022-11-09 09:12:19 +01:00
  • fc68592c6b Merge branch 'add_pipeline' into 'master' germann_e 2022-10-24 10:29:58 +00:00
  • 5bba76c3a0 Add pipeline germann_e 2022-10-24 10:29:57 +00:00
  • 1dd4db4356 Merge branch 'add_pipeline' into 'master' germann_e 2022-10-19 06:52:45 +00:00
  • b51b0ed131 ADD: working pipeline to test HyQuas and HiQsimulator Germann Elsa Sylvia 2022-10-18 16:29:39 +02:00
  • c7120345ed RM: +mpi Germann Elsa Sylvia 2022-10-12 15:00:20 +02:00
  • 5b667dff78 FIX: change cuda_arch Germann Elsa Sylvia 2022-10-12 11:08:01 +02:00
  • 89cd768cf2 FIX: fix the cuda_arch on the fly and create dir Germann Elsa Sylvia 2022-10-11 17:14:15 +02:00
  • 437fdc899f FIX: gpu node build Germann Elsa Sylvia 2022-10-11 15:13:16 +02:00
  • 7702e47a9d FIX: cp2k installation Germann Elsa Sylvia 2022-10-07 13:36:36 +02:00
  • a91f7060d6 ADD: variant to hyquas package Germann Elsa Sylvia 2022-10-07 12:45:19 +02:00
  • 6b31f09245 RM: pycache Germann Elsa Sylvia 2022-10-06 13:45:32 +02:00
  • 39fcc0edba ADD: HyQuas package Germann Elsa Sylvia 2022-10-06 13:44:45 +02:00
  • 74ce767ad6 FIX: py-networkx as run dep of py-projectq Germann Elsa Sylvia 2022-10-05 14:43:19 +02:00
  • d135d8cc45 ADD: own version of cp2k (fix oneapi) Germann Elsa Sylvia 2022-10-04 16:01:08 +02:00
  • 6a880c9bc5 FIX: add hash to make sure every installation is unique Germann Elsa Sylvia 2022-10-04 15:47:23 +02:00
  • aeca31bb98 FIX: add unique python Germann Elsa Sylvia 2022-10-04 15:45:39 +02:00
  • 5e3ebeb8dd FIX: typo Germann Elsa Sylvia 2022-10-04 15:44:02 +02:00
  • 7e6d72d0f6 ADD: pgi@18.5 compiler Germann Elsa Sylvia 2022-10-04 15:43:01 +02:00
  • 9499e06b75 FIX: relion matrix specs Germann Elsa Sylvia 2022-10-04 15:36:42 +02:00
  • 0febd3db7e FIX: go back to anchors and add relion%pgi Germann Elsa Sylvia 2022-10-04 15:34:42 +02:00
  • 117cd18a5c FIX: py requirements only run deps Germann Elsa Sylvia 2022-10-03 13:58:15 +02:00
  • ee2187117c FIX: solve git checksum problem Germann Elsa Sylvia 2022-10-03 13:56:45 +02:00
  • b94386af7b ADD: correct permissions for /user/data Germann Elsa Sylvia 2022-10-03 10:10:18 +02:00
  • 160080095b FIX: add py-mpi4py + py-projectq dependency Germann Elsa Sylvia 2022-10-03 10:09:59 +02:00
  • 1edc86fcf8 FIX: set BOOST_ROOT for HiQsimulator wheel Germann Elsa Sylvia 2022-09-30 17:41:22 +02:00
  • 9e18a4a0f6 RM: boost installation not working Germann Elsa Sylvia 2022-09-30 16:15:49 +02:00
  • 6cba61acc8 Merge branch 'master' of git.psi.ch:germann_e/spack-psi Germann Elsa Sylvia 2022-09-30 15:59:58 +02:00
  • a3c9f4ffc4 ADD: externals pckgs for HiQsimulation Germann Elsa Sylvia 2022-09-30 15:59:35 +02:00
  • d462015797 Update README.md germann_e 2022-09-30 13:31:23 +00:00
  • 8f5e725831 RM: non-per-package-env merlin env Germann Elsa Sylvia 2022-09-30 15:29:54 +02:00
  • 4e3c10bacb ADD: merlin/HiQsimulator env Germann Elsa Sylvia 2022-09-30 15:27:53 +02:00
  • 6226b10621 FIX: merlin env now software dependent Germann Elsa Sylvia 2022-09-30 15:27:15 +02:00
  • 76b2d0ca73 FIX: cp2k installation Germann Elsa Sylvia 2022-09-29 14:26:08 +02:00
  • 4f34af7d57 ADD: hcoll installation Germann Elsa Sylvia 2022-09-29 10:21:58 +02:00
  • 95f0395d50 ADD: mpi, blas, python definitions Germann Elsa Sylvia 2022-09-29 10:15:19 +02:00
  • 3d24e31dc0 ADD: specs that works together Germann Elsa Sylvia 2022-09-21 14:23:34 +02:00
  • 188422bf29 RM: external package libtheora (failing) Germann Elsa Sylvia 2022-09-21 09:01:39 +02:00
  • f3e449c5d9 RM: jsoncpp externals, not working Germann Elsa Sylvia 2022-09-20 16:37:53 +02:00
  • b37d2a58d1 FIX: %gcc error Germann Elsa Sylvia 2022-09-15 14:27:50 +02:00
  • a590dffac4 FIX: commenting & %gcc error Germann Elsa Sylvia 2022-09-15 14:27:22 +02:00