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259 Commits

Author SHA1 Message Date
bliven_s
d46d0e643a Merge branch 'modelcraft' into 'master' 
New module: modelcraft

See merge request Pmodules/buildblocks!298
 2022-02-16 15:40:20 +00:00
bliven_s
4518dc2dd0 Merge branch 'anaconda' into 'master' 
Mark psi-python as conflicting with anaconda.

See merge request Pmodules/buildblocks!295
 2022-02-16 15:39:47 +00:00
Spencer Bliven
692881899e New module: modelcraft/2.2.3 2022-02-16 16:38:17 +01:00
Spencer Bliven
85386ace59 Mark psi-python as conflicting with anaconda. 
These changes have already been applied by hand.
 2022-01-25 18:04:57 +01:00
caubet_m
7839ca1d88 Merge branch 'openmpi_4.0.5_cuda_10.4' into 'master' 
Openmpi 4.0.5 cuda 10.4

See merge request Pmodules/buildblocks!293
 2022-01-25 14:45:42 +00:00
caubet_m
eab2aae1d7 Add: cuda/11.4.3, cuda/11.5.1 - unstable 2022-01-19 10:55:31 +01:00
caubet_m
803cf3114a Update README.md 2022-01-19 08:56:53 +00:00
Achim Gsell
797ff7af76 bison: new module for version 3.8.2 2021-11-19 17:16:43 +01:00
Achim Gsell
b7e70d3c7d nasm: rel.stage of 2.15.05 changed to stable 2021-11-19 16:37:52 +01:00
Achim Gsell
e8363c93ee nasm: new module for version 2.15.05 2021-11-19 16:33:44 +01:00
Achim Gsell
eb42de0c71 cmake: module for version 3.20.5 build 2021-11-18 14:41:44 +01:00
Achim Gsell
f27ca5d231 m4: module for version 1.4.19 build 2021-11-18 14:13:18 +01:00
gsell
9ff66bdee7 Merge branch '174-clang-change-release-state-of-12-0-0_rhel7-to-stable' into 'master' 
Resolve "clang: change release state of 12.0.0_rhel7 to stable"

Closes #174

See merge request Pmodules/buildblocks!245
 2021-11-18 09:56:59 +00:00
Achim Gsell
7e03abd46f Python: release stages changed to stable 2021-11-18 10:33:25 +01:00
Achim Gsell
a6e4ddea0b Python: virtenv added 2021-11-18 10:30:50 +01:00
Achim Gsell
6cc9be0b56 clang: fixes in build script 2021-11-18 10:12:36 +01:00
Achim Gsell
be09a57134 clang: release stage of 10.0.1 changed to stable 2021-11-18 10:12:22 +01:00
Achim Gsell
d93c098b0f clang: version 12.0.0 added for rhel7 2021-11-18 10:11:38 +01:00
Achim Gsell
fab3b73fcf binutils: new version 2.37 build 2021-11-17 13:23:52 +01:00
caubet_m
bce8c9a3f6 OpenMPI and related software lifecycling 2021-11-16 17:42:38 +01:00
Spencer Bliven
5233ffd6e6 Release Alphafold 2.0.1 
- Improves the build system to install the submission scripts in bin
- Add README
 2021-10-08 20:57:18 +02:00
Caubet Serrabou Marc
196086d3e2 Added Qt5 2021-05-31 09:41:15 +02:00
Derek Feichtinger
e736e4aedc added ray_py38 environment for Adelmann 2021-05-17 15:24:35 +02:00
Achim Gsell
272c81ae65 gcc: build module for version 10.3.0 2021-04-26 14:58:23 +02:00
Achim Gsell
5ad04ff9fd gcc: release gcc/10.2.0 as stable 2021-04-26 14:54:35 +02:00
Caubet Serrabou Marc
167f68fe37 unstable->stable:cuda/11.2.2|new->unstable:cuda/11.3.0 2021-04-20 08:59:49 +02:00
bliven_s
4daaea8a31 Merge branch 'mxarchive' into 'master' 
Add conda mxarchive environment

See merge request Pmodules/buildblocks!196
 2021-03-24 10:30:16 +01:00
Spencer Bliven
679b02118d Add conda mxarchive environment 2021-03-24 10:28:20 +01:00
Caubet Serrabou Marc
ec2d85085f Added cuda/11.2.2 -> unstable 2021-03-12 17:08:59 +01:00
Caubet Serrabou Marc
d619820871 Added cuda/11.2.2 -> unstable 2021-03-12 17:06:20 +01:00
Caubet Serrabou Marc
db375c2eec Added cuda/11.2.2 -> unstable 2021-03-12 17:03:52 +01:00
Caubet Serrabou Marc
10361b172b Revert "Added CUDA versions to stable" 
This reverts commit 5a18cbc5b5.
 2021-03-01 10:46:50 +01:00
Caubet Serrabou Marc
5a18cbc5b5 Added CUDA versions to stable 2021-03-01 10:41:23 +01:00
Caubet Serrabou Marc
53ce97535b Added CUDA versions to stable 2021-03-01 10:39:48 +01:00
Caubet Serrabou Marc
8a6e7d90c4 Added 11.1.1 to stable 2021-03-01 10:36:17 +01:00
Caubet Serrabou Marc
7e98ea1bd8 Added CUDA_PATH to CUDA module 2021-03-01 10:28:00 +01:00
Achim Gsell
b4f4e417b6 cmake: version 3.19.2 build for rhel6 2021-02-24 13:57:18 +01:00
bliven_s
4b2d3a5d7e Merge branch 'relion-openmpi-update' into 'master' 
Relion: new versions and deprecations

See merge request Pmodules/buildblocks!160
 2021-01-22 21:51:56 +01:00
Spencer Bliven
c9978118c5 Setting cuda versions to stable 
These are pretty well tested via relion. There was a slight question
about 11.0.3 with kokkos, but it seems to be specific to that package.
 2021-01-22 21:31:57 +01:00
Caubet Serrabou Marc
6705712b24 intel/20.4 to stable 2021-01-22 11:43:03 +01:00
Achim Gsell
0f1b3a7d0d clang: new build-block added 2020-11-16 16:10:59 +01:00
Achim Gsell
93dbfffd64 gcc: build version 10.2.0 
- requires the patch 'gcc-10.2.0-cpp-__has_include.patch'
 2020-11-16 15:22:57 +01:00
Feichtinger Derek
275f8e4572 Making anaconda 2019.07 stable 2020-10-29 09:30:21 +01:00
bliven_s
6d5404c2fb Merge branch 'topaz' into 'master' 
Add new 'topaz' environment for EM

See merge request Pmodules/buildblocks!129
 2020-10-29 09:08:08 +01:00
bliven_s
f695b5b640 Merge branch 'conda-setup' into 'master' 
Reverting bad conda_setup script

See merge request Pmodules/buildblocks!130
 2020-10-29 08:56:23 +01:00
Feichtinger Derek
414a46ff76 committed initially forgotten kernelwrapper and log scripts 2020-10-29 08:06:45 +01:00
Spencer Bliven
1668e1d3fa Reverting bad conda_setup script 
This broke anaconda because the CONDA_PREFIX is not defined.
Better to setup conda directly in the modulefile.
 2020-10-28 11:22:19 +01:00
Spencer Bliven
792a562c57 Add new 'topaz' environment for EM 2020-10-27 11:48:05 +01:00
feichtinger
2ed35423d2 Update anaconda README.md with information on logging 2020-10-19 10:58:43 +02:00
Feichtinger Derek
348773f996 hep_root conda env implemented for Alexander Skawran 
late commit of implementation from Feb 2020
 2020-10-16 22:50:25 +02:00