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4e3d3332bb
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FIX: clean restructure
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2024-06-07 16:55:19 +02:00 |
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309d54ff17
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ADD: admin stable, unstable & testing env
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2024-06-07 16:54:10 +02:00 |
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bc1a1c1e16
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FIX: remove relative path for user stable env
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2024-06-07 12:52:25 +02:00 |
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3b2f4008d5
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FIX: restructure env
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2024-06-07 12:45:53 +02:00 |
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35336f53ef
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ADD: sysconfigs
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2024-06-07 09:58:26 +02:00 |
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1ed5f11250
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ADD: stable env
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2024-06-07 08:39:22 +02:00 |
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107f3f1d76
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FIX: use target for env and add stable env
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2024-06-07 08:34:36 +02:00 |
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068efd0c6b
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ADD: extra version pkgs needed by alphafold
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2024-05-31 12:42:24 +02:00 |
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d71e6cea13
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Update file README.md
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2024-05-29 16:14:57 +02:00 |
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85b47c1834
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ADD: README.md
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2024-05-29 16:12:46 +02:00 |
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729882fb65
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ADD: alphafold newest versions
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2024-05-28 10:38:00 +02:00 |
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dd6456d142
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FIX: spack.pkg.builtin.cray_libsci
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2024-05-23 15:24:38 +02:00 |
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628cf312d2
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ADD: cray-libsci fix
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2024-05-23 09:01:13 +02:00 |
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122d03222d
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FIX: remove harcoded hdf5 and boost version
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2024-05-23 08:47:32 +02:00 |
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a50e9c6253
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FIX: remove openmpi and openblas hardcoded dependency
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2024-05-17 14:44:01 +02:00 |
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1295f4db59
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ADD: first commit
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2024-05-16 11:01:56 +02:00 |
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Germann Elsa Sylvia
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934b57b1b4
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FIX: spack v0.20.0 packages.yaml module error
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2023-05-26 11:44:06 +02:00 |
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e3ab57d525
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Merge branch 'update_readme' into 'master'
FIX: spack develop modules.yaml problem + install new gromacs with openmpi
See merge request germann_e/spack-psi!12
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2023-05-05 11:52:08 +00:00 |
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Germann Elsa Sylvia
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49ac8bc5de
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FIX: spack develop modules.yaml problem + install new gromacs with openmpi
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2023-05-05 12:53:40 +02:00 |
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2c93b42fff
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Merge branch 'update_readme' into 'master'
Update readme
See merge request germann_e/spack-psi!11
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2023-04-27 11:08:07 +00:00 |
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Germann Elsa Sylvia
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1f4913e199
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FIX: update README.md
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2023-04-27 13:02:10 +02:00 |
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8ad522dea8
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Merge branch 'prototype' into 'master'
Spack Prototype for PSI
See merge request germann_e/spack-psi!9
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2023-04-27 08:07:00 +00:00 |
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adb8e3eb09
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Spack Prototype for PSI
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2023-04-27 08:06:59 +00:00 |
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8a0d620eb0
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Merge branch 'fix_go_pb' into 'master'
FIX: fix go version to 1.18
See merge request germann_e/spack-psi!8
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2023-02-27 09:54:16 +00:00 |
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Germann Elsa Sylvia
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f2b7b418c0
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FIX: fix go version to 1.18
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2023-02-27 09:40:04 +01:00 |
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2b3c7b876e
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Merge branch 'ffbidx' into 'master'
FIX: spack ffbidx python issues
See merge request germann_e/spack-psi!7
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2022-12-02 10:34:38 +00:00 |
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9265090fbb
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Fixes, docu update
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2022-12-02 10:27:46 +01:00 |
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94c5886498
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Update README.md
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2022-11-30 09:30:41 +00:00 |
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8a4e4a5d84
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Merge branch 'add_cache_cleaning' into 'master'
FIX: add cache cleaning before installation
See merge request germann_e/spack-psi!6
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2022-11-25 10:32:24 +00:00 |
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Germann Elsa Sylvia
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55d09713fc
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FIX: add cache cleaning before installation
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2022-11-25 10:30:08 +01:00 |
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0b817b2f6d
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Merge branch 'add_ffbidx' into 'master'
ADD: ffbidx package
See merge request germann_e/spack-psi!5
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2022-11-24 12:43:24 +00:00 |
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e4d5ad8aa4
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ADD: ffbidx package
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2022-11-24 12:43:23 +00:00 |
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6c025154ad
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Merge branch 'fix_09112022' into 'master'
FIX: add new --add option to install cmd
See merge request germann_e/spack-psi!4
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2022-11-09 09:19:23 +00:00 |
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32565bb057
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FIX: add new --add option to install cmd
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2022-11-09 09:12:19 +01:00 |
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fc68592c6b
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Merge branch 'add_pipeline' into 'master'
Add pipeline
See merge request germann_e/spack-psi!3
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2022-10-24 10:29:58 +00:00 |
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5bba76c3a0
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Add pipeline
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2022-10-24 10:29:57 +00:00 |
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1dd4db4356
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Merge branch 'add_pipeline' into 'master'
ADD: working pipeline to test HyQuas and HiQsimulator
See merge request germann_e/spack-psi!2
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2022-10-19 06:52:45 +00:00 |
|
Germann Elsa Sylvia
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b51b0ed131
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ADD: working pipeline to test HyQuas and HiQsimulator
|
2022-10-18 16:29:39 +02:00 |
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Germann Elsa Sylvia
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c7120345ed
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RM: +mpi
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2022-10-12 15:00:20 +02:00 |
|
Germann Elsa Sylvia
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5b667dff78
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FIX: change cuda_arch
|
2022-10-12 11:08:01 +02:00 |
|
Germann Elsa Sylvia
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89cd768cf2
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FIX: fix the cuda_arch on the fly and create dir
|
2022-10-11 17:14:15 +02:00 |
|
Germann Elsa Sylvia
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437fdc899f
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FIX: gpu node build
|
2022-10-11 15:13:16 +02:00 |
|
Germann Elsa Sylvia
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7702e47a9d
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FIX: cp2k installation
|
2022-10-07 13:36:36 +02:00 |
|
Germann Elsa Sylvia
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a91f7060d6
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ADD: variant to hyquas package
|
2022-10-07 12:45:19 +02:00 |
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Germann Elsa Sylvia
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6b31f09245
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RM: pycache
|
2022-10-06 13:45:32 +02:00 |
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Germann Elsa Sylvia
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39fcc0edba
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ADD: HyQuas package
|
2022-10-06 13:44:45 +02:00 |
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Germann Elsa Sylvia
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74ce767ad6
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FIX: py-networkx as run dep of py-projectq
|
2022-10-05 14:43:19 +02:00 |
|
Germann Elsa Sylvia
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d135d8cc45
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ADD: own version of cp2k (fix oneapi)
|
2022-10-04 16:01:08 +02:00 |
|
Germann Elsa Sylvia
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6a880c9bc5
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FIX: add hash to make sure every installation is unique
|
2022-10-04 15:47:23 +02:00 |
|
Germann Elsa Sylvia
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aeca31bb98
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FIX: add unique python
|
2022-10-04 15:45:39 +02:00 |
|
