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53644d2d04447c84fabe0ed7cda703e8a4962f77
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1817 Commits

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Author SHA1 Message Date
Achim Gsell
53644d2d04 qe: line-breaks added to whatis and help 2021-11-17 18:14:18 +01:00
Achim Gsell
4c835ba5f2 qe: deprecated all modules build with openmpi 3 and older 2021-11-17 18:13:11 +01:00
gsell
edc9727a77 Merge branch '170-lammps-deprecate-all-modules-build-with-openmpi-3-and-older' into 'master' 
Resolve "lammps: deprecate all modules build with openmpi 3 and older"

Closes #170

See merge request Pmodules/buildblocks!241
 2021-11-17 17:05:53 +00:00
Achim Gsell
4ce23fd03b lammps: all module build with openmpi 3 and older deprecated 2021-11-17 18:05:13 +01:00
gsell
84720d89f0 Merge branch '169-fftw-deprecate-all-modules-build-with-openmpi-3' into 'master' 
Resolve "fftw: deprecate all modules build with openmpi 3"

Closes #169

See merge request Pmodules/buildblocks!240
 2021-11-17 16:33:18 +00:00
Achim Gsell
eab332e84c fftw: all modules build with openmpi 3 deprecated 2021-11-17 17:32:38 +01:00
gsell
2ad4693d18 Merge branch '168-ioapi-deprecate-all-modules-with-version-3-2' into 'master' 
Resolve "ioapi: deprecate all modules with version 3.2"

Closes #168

See merge request Pmodules/buildblocks!239
 2021-11-17 15:58:21 +00:00
Achim Gsell
49809e0d62 ioapi: fixes to build-scripts 2021-11-17 16:57:54 +01:00
Achim Gsell
624398ff3d ioapi: serial version deprecated 2021-11-17 16:55:01 +01:00
Achim Gsell
5aceb216ae ioapi: deprecate parallel 3.2 modules 2021-11-17 16:10:20 +01:00
gsell
f4bddb33f1 Merge branch '167-gromacs-deprecate-versions-build-with-openmpi-prior-to-3-1-6' into 'master' 
Resolve "gromacs: deprecate versions build with openmpi prior to 3.1.6"

Closes #167

See merge request Pmodules/buildblocks!238
 2021-11-17 14:51:42 +00:00
Achim Gsell
7ff7fdcd32 gromacs: deprecate versions with openmpi prior to 3.1.6 2021-11-17 15:51:20 +01:00
Achim Gsell
b79e99ddc2 gromacs: deprecate versions with openmpi prior to 3.1.6 2021-11-17 15:50:59 +01:00
gsell
57b46c47e1 Merge branch '166-cpmd-deprecate-version-3-17-1' into 'master' 
Resolve "cpmd: deprecate version 3.17.1"

Closes #166

See merge request Pmodules/buildblocks!237
 2021-11-17 13:52:07 +00:00
Achim Gsell
46cda16f21 cpmd: version 3.17.1 deprecated 2021-11-17 14:48:06 +01:00
gsell
757fe23d11 Merge branch '165-gromacs-deprecate-major-versions-4-and-5' into 'master' 
Resolve "gromacs: deprecate major versions 4 and 5"

Closes #165

See merge request Pmodules/buildblocks!236
 2021-11-17 13:27:37 +00:00
Achim Gsell
60869d0956 gromacs: major version 4 and 5 deprecated 2021-11-17 14:27:06 +01:00
gsell
34e400bc44 Merge branch '162-openblas-0-3-15' into 'master' 
Resolve "OpenBLAS 0.3.15"

Closes #162

See merge request Pmodules/buildblocks!233
 2021-11-17 12:33:52 +00:00
Achim Gsell
3a5adaa00a OpenBLAS: version 0.3.15 added 2021-11-17 13:32:53 +01:00
gsell
ad6fa03543 Merge branch '161-binutils-2-37' into 'master' 
Resolve "binutils 2.37"

Closes #161

See merge request Pmodules/buildblocks!231
 2021-11-17 12:25:33 +00:00
Achim Gsell
fab3b73fcf binutils: new version 2.37 build 2021-11-17 13:23:52 +01:00
caubet_m
71fc851da8 Merge branch 'openmpi_cleanup' into 'master' 
openmpi/4.0.4_slurm to deprecated

See merge request Pmodules/buildblocks!232
 2021-11-17 12:07:45 +00:00
caubet_m
4d84ee6c07 openmpi/4.0.4_slurm to deprecated 2021-11-17 13:07:12 +01:00
caubet_m
bf0c496907 Merge branch 'openmpi_cleanup' into 'master' 
OpenMPI and related software lifecycling

See merge request Pmodules/buildblocks!229
 2021-11-16 16:45:31 +00:00
caubet_m
bce8c9a3f6 OpenMPI and related software lifecycling 2021-11-16 17:42:38 +01:00
bliven_s
2dc5098d35 Merge branch 'alphafold' into 'master' 
Alphafold buildblock

See merge request Pmodules/buildblocks!228
 2021-10-27 07:26:16 +00:00
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
Spencer Bliven
de21d05b14 Add submission scripts 2021-10-08 15:19:17 +02:00
Spencer Bliven
cc0cd5388d alphafold/2.0.0-b88f8da release 2021-10-08 14:34:25 +02:00
bliven_s
a1ddb7afd4 Merge branch 'relion4' into 'master' 
Add relion 3.1.3 and 4.0-beta

See merge request Pmodules/buildblocks!227
 2021-09-30 11:59:53 +00:00
Spencer Bliven
bad1541b54 Add relion/4.0-beta 2021-09-30 13:58:16 +02:00
Spencer Bliven
bc2425090a Add relion/3.1.3 2021-09-30 12:14:45 +02:00
caubet_m
6bb6f46f86 Merge branch 'openmpi' into 'master' 
Added openmpi/4.0.5-2_slurm and UCX 1.11

See merge request Pmodules/buildblocks!226
 2021-08-13 08:28:26 +00:00
Caubet Serrabou Marc
4a69e4f6ff Added openmpi/4.0.5-2_slurm and UCX 1.11 2021-08-13 10:23:06 +02:00
bliven_s
c39ec2cba1 Merge branch 'aria2' into 'master' 
New Module: aria2

See merge request Pmodules/buildblocks!225
 2021-07-27 12:34:47 +02:00
Spencer Bliven
f18237659a Marking aria2 stable 2021-07-27 12:33:41 +02:00
Spencer Bliven
edd205e966 New Module: aria2 2021-07-26 17:17:37 +02:00
bliven_s
d981a44f84 Merge branch 'relion' into 'master' 
Fix dependency problem in relion/3.0.8-1

See merge request Pmodules/buildblocks!224
 2021-07-26 16:22:37 +02:00
Spencer Bliven
1f1a754c5d Fix dependency problem iun relion/3.0.8-1 2021-07-26 15:39:38 +02:00
caubet_m
11407e5c94 Merge branch 'ANSYS2020R2' into 'master' 
Ansys2020 r2

See merge request Pmodules/buildblocks!223
 2021-07-14 16:40:01 +02:00
Caubet Serrabou Marc
753a203ed0 Added ANSYS 2020R2 2021-07-14 16:39:28 +02:00
Caubet Serrabou Marc
c631fb211d Added ANSYS 2020R2 2021-07-14 16:38:27 +02:00
caubet_m
c4b044118b Merge branch 'qt5' into 'master' 
Added Qt5

See merge request Pmodules/buildblocks!221
 2021-05-31 09:42:15 +02:00
Caubet Serrabou Marc
196086d3e2 Added Qt5 2021-05-31 09:41:15 +02:00
feichtinger
1ef3b34924 Merge branch '158-python-env-with-ray-and-ml-software-for-adelmann' into 'master' 
Resolve "python env with Ray and ML software for Adelmann"

Closes #158

See merge request Pmodules/buildblocks!220
 2021-05-17 15:26:02 +02:00
Derek Feichtinger
e736e4aedc added ray_py38 environment for Adelmann 2021-05-17 15:24:35 +02:00
gsell
29274ac187 Merge branch '157-bash-new-build-block' into 'master' 
Resolve "bash: new build-block"

Closes #157

See merge request Pmodules/buildblocks!219
 2021-04-26 15:59:35 +02:00
Achim Gsell
a7c7bc4c7b bash: new build-block added 2021-04-26 15:59:19 +02:00
gsell
810b7d04a0 Merge branch '156-kokkos-new-build-block' into 'master' 
Resolve "kokkos: new build block"

Closes #156

See merge request Pmodules/buildblocks!218
 2021-04-26 15:56:11 +02:00
Achim Gsell
5b0e7a967f kokkos: new build-block added 2021-04-26 15:55:57 +02:00