Merge pull request #782 from hpcugentbot/auto_update_modules_2024-11-15_15-43

boegel · web-flow · commit 76a863412f6b · 2024-11-15T16:11:49.000+01:00
Auto Update Modules [15 November 2024, 15:43]
diff --git a/mkdocs/docs/HPC/only/gent/available_software/data/json_data.json b/mkdocs/docs/HPC/only/gent/available_software/data/json_data.json
diff --git a/mkdocs/docs/HPC/only/gent/available_software/data/json_data_detail.json b/mkdocs/docs/HPC/only/gent/available_software/data/json_data_detail.json
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/BindCraft.md b/mkdocs/docs/HPC/only/gent/available_software/detail/BindCraft.md
@@ -21,4 +21,4 @@ module load BindCraft/1.1.0-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|BindCraft/1.1.0-foss-2023a|x|x|x|x|-|x|x|
+|BindCraft/1.1.0-foss-2023a|x|x|x|x|x|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Flax.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Flax.md
@@ -22,4 +22,4 @@ module load Flax/0.8.4-gfbf-2023a-CUDA-12.1.1
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |Flax/0.8.4-gfbf-2023a-CUDA-12.1.1|x|-|x|-|x|-|-|
-|Flax/0.8.4-gfbf-2023a|x|x|x|x|-|x|x|
+|Flax/0.8.4-gfbf-2023a|x|x|x|x|x|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/GROMACS.md b/mkdocs/docs/HPC/only/gent/available_software/detail/GROMACS.md
@@ -14,13 +14,14 @@ The overview below shows which GROMACS installations are available per HPC-UGent
 To start using GROMACS, load one of these modules using a `module load` command like:
 
 ```shell
-module load GROMACS/2024.4-foss-2023b-CUDA-12.4.0
+module load GROMACS/2024.4-foss-2023b-CUDA-12.4.0-PLUMED-2.9.2
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|GROMACS/2024.4-foss-2023b-CUDA-12.4.0-PLUMED-2.9.2|-|-|-|-|x|-|-|
 |GROMACS/2024.4-foss-2023b-CUDA-12.4.0|-|-|-|-|x|-|-|
 |GROMACS/2024.3-foss-2023b-PLUMED-2.9.2|-|-|-|-|-|x|x|
 |GROMACS/2024.3-foss-2023b-CUDA-12.4.0|-|-|-|-|x|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Optax.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Optax.md
@@ -22,5 +22,5 @@ module load Optax/0.2.2-gfbf-2023a-CUDA-12.1.1
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |Optax/0.2.2-gfbf-2023a-CUDA-12.1.1|x|-|x|-|x|-|-|
-|Optax/0.2.2-gfbf-2023a|x|x|x|x|-|x|x|
+|Optax/0.2.2-gfbf-2023a|x|x|x|x|x|x|x|
 |Optax/0.2.2-foss-2023a|x|x|x|x|-|x|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/PLUMED.md b/mkdocs/docs/HPC/only/gent/available_software/detail/PLUMED.md
@@ -21,7 +21,7 @@ module load PLUMED/2.9.2-foss-2023b
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|PLUMED/2.9.2-foss-2023b|x|x|x|x|-|x|x|
+|PLUMED/2.9.2-foss-2023b|x|x|x|x|x|x|x|
 |PLUMED/2.9.0-foss-2023a|x|x|x|x|x|x|x|
 |PLUMED/2.9.0-foss-2022b|x|x|x|x|-|-|-|
 |PLUMED/2.8.1-foss-2022a|x|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Valgrind.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Valgrind.md
@@ -14,13 +14,14 @@ The overview below shows which Valgrind installations are available per HPC-UGen
 To start using Valgrind, load one of these modules using a `module load` command like:
 
 ```shell
-module load Valgrind/3.20.0-gompi-2022a
+module load Valgrind/3.23.0-gompi-2023b
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|Valgrind/3.23.0-gompi-2023b|x|x|x|x|x|x|x|
 |Valgrind/3.20.0-gompi-2022a|x|x|x|-|-|-|-|
 |Valgrind/3.19.0-gompi-2022a|x|x|x|-|-|-|-|
 |Valgrind/3.18.1-iimpi-2021b|x|x|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/dm-haiku.md b/mkdocs/docs/HPC/only/gent/available_software/detail/dm-haiku.md
@@ -21,7 +21,7 @@ module load dm-haiku/0.0.13-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|dm-haiku/0.0.13-foss-2023a|x|x|x|x|-|x|x|
+|dm-haiku/0.0.13-foss-2023a|x|x|x|x|x|x|x|
 |dm-haiku/0.0.12-foss-2023a-CUDA-12.1.1|x|-|x|-|x|-|-|
 |dm-haiku/0.0.12-foss-2023a|x|x|x|x|-|x|x|
 |dm-haiku/0.0.9-foss-2022a-CUDA-11.7.0|-|-|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/dorado.md b/mkdocs/docs/HPC/only/gent/available_software/detail/dorado.md
@@ -21,7 +21,7 @@ module load dorado/0.8.0-foss-2023a-CUDA-12.1.1
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|dorado/0.8.0-foss-2023a-CUDA-12.1.1|-|-|-|-|x|-|-|
+|dorado/0.8.0-foss-2023a-CUDA-12.1.1|x|-|-|-|x|-|-|
 |dorado/0.7.3-foss-2023a-CUDA-12.1.1|x|-|x|-|x|-|-|
 |dorado/0.7.0-foss-2023a-CUDA-12.1.1|x|-|x|-|-|-|-|
 |dorado/0.6.1-foss-2023a-CUDA-12.1.1|x|-|x|-|x|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/jax.md b/mkdocs/docs/HPC/only/gent/available_software/detail/jax.md
@@ -22,7 +22,7 @@ module load jax/0.4.25-gfbf-2023a-CUDA-12.1.1
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |jax/0.4.25-gfbf-2023a-CUDA-12.1.1|x|-|x|-|x|-|-|
-|jax/0.4.25-gfbf-2023a|x|x|x|x|-|x|x|
+|jax/0.4.25-gfbf-2023a|x|x|x|x|x|x|x|
 |jax/0.4.25-foss-2023a|x|x|x|x|-|x|x|
 |jax/0.3.25-foss-2022a-CUDA-11.7.0|x|-|x|-|-|-|-|
 |jax/0.3.25-foss-2022a|x|x|x|x|-|x|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/py3Dmol.md b/mkdocs/docs/HPC/only/gent/available_software/detail/py3Dmol.md
@@ -21,5 +21,5 @@ module load py3Dmol/2.1.0-GCCcore-12.3.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|py3Dmol/2.1.0-GCCcore-12.3.0|x|x|x|x|-|x|x|
+|py3Dmol/2.1.0-GCCcore-12.3.0|x|x|x|x|x|x|x|
 |py3Dmol/2.0.1.post1-GCCcore-11.3.0|x|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/pyWannier90.md b/mkdocs/docs/HPC/only/gent/available_software/detail/pyWannier90.md
@@ -21,6 +21,6 @@ module load pyWannier90/2024-01-28-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|pyWannier90/2024-01-28-foss-2023a|x|-|x|-|x|-|x|
+|pyWannier90/2024-01-28-foss-2023a|x|x|x|x|x|x|x|
 |pyWannier90/2021-12-07-gomkl-2021a|x|x|x|x|-|-|-|
 |pyWannier90/2021-12-07-foss-2021a|x|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/xxd.md b/mkdocs/docs/HPC/only/gent/available_software/detail/xxd.md
@@ -21,7 +21,7 @@ module load xxd/9.1.0307-GCCcore-13.2.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|xxd/9.1.0307-GCCcore-13.2.0|x|x|x|x|-|x|x|
+|xxd/9.1.0307-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |xxd/9.0.2112-GCCcore-12.3.0|x|x|x|x|x|x|x|
 |xxd/9.0.1696-GCCcore-12.2.0|x|x|x|x|-|-|-|
 |xxd/8.2.4220-GCCcore-11.3.0|x|x|x|x|-|-|-|
diff --git a/mkdocs/extra/gent.yml b/mkdocs/extra/gent.yml
@@ -16,7 +16,7 @@ hpcname: hpcugent
 loginnode: login.hpc.ugent.be
 loginhost: gligar07.gastly.os
 altloginhost: gligar08.gastly.os
-modules_last_updated: Thu, 14 Nov 2024 at 15:44:37 CET # This line is automatically updated by scripts/available_modules/available_modules.py
+modules_last_updated: Fri, 15 Nov 2024 at 15:44:37 CET # This line is automatically updated by scripts/available_modules/available_modules.py
 # get these with ssh-keyscan gligar01.ugent.be > file
 # ssh-keygen -l -f file
 # ssh-keygen -l -f file -E md5
