Commit Graph

279 Commits

Author SHA1 Message Date
8a0d620eb0 Merge branch 'fix_go_pb' into 'master'
FIX: fix go version to 1.18

See merge request germann_e/spack-psi!8
2023-02-27 09:54:16 +00:00
Germann Elsa Sylvia
f2b7b418c0 FIX: fix go version to 1.18 2023-02-27 09:40:04 +01:00
2b3c7b876e Merge branch 'ffbidx' into 'master'
FIX: spack ffbidx python issues

See merge request germann_e/spack-psi!7
2022-12-02 10:34:38 +00:00
9265090fbb Fixes, docu update 2022-12-02 10:27:46 +01:00
94c5886498 Update README.md 2022-11-30 09:30:41 +00:00
8a4e4a5d84 Merge branch 'add_cache_cleaning' into 'master'
FIX: add cache cleaning before installation

See merge request germann_e/spack-psi!6
2022-11-25 10:32:24 +00:00
Germann Elsa Sylvia
55d09713fc FIX: add cache cleaning before installation 2022-11-25 10:30:08 +01:00
0b817b2f6d Merge branch 'add_ffbidx' into 'master'
ADD: ffbidx package

See merge request germann_e/spack-psi!5
2022-11-24 12:43:24 +00:00
e4d5ad8aa4 ADD: ffbidx package 2022-11-24 12:43:23 +00:00
6c025154ad Merge branch 'fix_09112022' into 'master'
FIX: add new --add option to install cmd

See merge request germann_e/spack-psi!4
2022-11-09 09:19:23 +00:00
32565bb057 FIX: add new --add option to install cmd 2022-11-09 09:12:19 +01:00
fc68592c6b Merge branch 'add_pipeline' into 'master'
Add pipeline

See merge request germann_e/spack-psi!3
2022-10-24 10:29:58 +00:00
5bba76c3a0 Add pipeline 2022-10-24 10:29:57 +00:00
1dd4db4356 Merge branch 'add_pipeline' into 'master'
ADD: working pipeline to test HyQuas and HiQsimulator

See merge request germann_e/spack-psi!2
2022-10-19 06:52:45 +00:00
Germann Elsa Sylvia
b51b0ed131 ADD: working pipeline to test HyQuas and HiQsimulator 2022-10-18 16:29:39 +02:00
Germann Elsa Sylvia
c7120345ed RM: +mpi 2022-10-12 15:00:20 +02:00
Germann Elsa Sylvia
5b667dff78 FIX: change cuda_arch 2022-10-12 11:08:01 +02:00
Germann Elsa Sylvia
89cd768cf2 FIX: fix the cuda_arch on the fly and create dir 2022-10-11 17:14:15 +02:00
Germann Elsa Sylvia
437fdc899f FIX: gpu node build 2022-10-11 15:13:16 +02:00
Germann Elsa Sylvia
7702e47a9d FIX: cp2k installation 2022-10-07 13:36:36 +02:00
Germann Elsa Sylvia
a91f7060d6 ADD: variant to hyquas package 2022-10-07 12:45:19 +02:00
Germann Elsa Sylvia
6b31f09245 RM: pycache 2022-10-06 13:45:32 +02:00
Germann Elsa Sylvia
39fcc0edba ADD: HyQuas package 2022-10-06 13:44:45 +02:00
Germann Elsa Sylvia
74ce767ad6 FIX: py-networkx as run dep of py-projectq 2022-10-05 14:43:19 +02:00
Germann Elsa Sylvia
d135d8cc45 ADD: own version of cp2k (fix oneapi) 2022-10-04 16:01:08 +02:00
Germann Elsa Sylvia
6a880c9bc5 FIX: add hash to make sure every installation is unique 2022-10-04 15:47:23 +02:00
Germann Elsa Sylvia
aeca31bb98 FIX: add unique python 2022-10-04 15:45:39 +02:00
Germann Elsa Sylvia
5e3ebeb8dd FIX: typo 2022-10-04 15:44:02 +02:00
Germann Elsa Sylvia
7e6d72d0f6 ADD: pgi@18.5 compiler 2022-10-04 15:43:01 +02:00
Germann Elsa Sylvia
9499e06b75 FIX: relion matrix specs 2022-10-04 15:36:42 +02:00
Germann Elsa Sylvia
0febd3db7e FIX: go back to anchors and add relion%pgi 2022-10-04 15:34:42 +02:00
Germann Elsa Sylvia
117cd18a5c FIX: py requirements only run deps 2022-10-03 13:58:15 +02:00
Germann Elsa Sylvia
ee2187117c FIX: solve git checksum problem 2022-10-03 13:56:45 +02:00
Germann Elsa Sylvia
b94386af7b ADD: correct permissions for /user/data 2022-10-03 10:10:18 +02:00
Germann Elsa Sylvia
160080095b FIX: add py-mpi4py + py-projectq dependency 2022-10-03 10:09:59 +02:00
Germann Elsa Sylvia
1edc86fcf8 FIX: set BOOST_ROOT for HiQsimulator wheel 2022-09-30 17:41:22 +02:00
Germann Elsa Sylvia
9e18a4a0f6 RM: boost installation not working 2022-09-30 16:15:49 +02:00
Germann Elsa Sylvia
6cba61acc8 Merge branch 'master' of git.psi.ch:germann_e/spack-psi 2022-09-30 15:59:58 +02:00
Germann Elsa Sylvia
a3c9f4ffc4 ADD: externals pckgs for HiQsimulation 2022-09-30 15:59:35 +02:00
d462015797 Update README.md 2022-09-30 13:31:23 +00:00
Germann Elsa Sylvia
8f5e725831 RM: non-per-package-env merlin env 2022-09-30 15:29:54 +02:00
Germann Elsa Sylvia
4e3c10bacb ADD: merlin/HiQsimulator env 2022-09-30 15:27:53 +02:00
Germann Elsa Sylvia
6226b10621 FIX: merlin env now software dependent 2022-09-30 15:27:15 +02:00
Germann Elsa Sylvia
76b2d0ca73 FIX: cp2k installation 2022-09-29 14:26:08 +02:00
Germann Elsa Sylvia
4f34af7d57 ADD: hcoll installation 2022-09-29 10:21:58 +02:00
Germann Elsa Sylvia
95f0395d50 ADD: mpi, blas, python definitions 2022-09-29 10:15:19 +02:00
Germann Elsa Sylvia
3d24e31dc0 ADD: specs that works together 2022-09-21 14:23:34 +02:00
Germann Elsa Sylvia
188422bf29 RM: external package libtheora (failing) 2022-09-21 09:01:39 +02:00
Germann Elsa Sylvia
f3e449c5d9 RM: jsoncpp externals, not working 2022-09-20 16:37:53 +02:00
Germann Elsa Sylvia
b37d2a58d1 FIX: %gcc error 2022-09-15 14:27:50 +02:00