Update Modules [16 November 2024, 15:43]

hpcugentbot · Nov 16, 2024 · 3fe203a · 3fe203a
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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/CUDA.md b/mkdocs/docs/HPC/only/gent/available_software/detail/CUDA.md
@@ -23,7 +23,7 @@ module load CUDA/12.6.0
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |CUDA/12.6.0|-|-|x|-|-|-|-|
 |CUDA/12.5.0|x|-|x|-|x|-|-|
-|CUDA/12.4.0|-|-|-|-|x|-|-|
+|CUDA/12.4.0|x|-|-|-|x|-|-|
 |CUDA/12.1.1|x|x|x|x|x|x|x|
 |CUDA/11.7.0|x|x|x|x|-|-|-|
 |CUDA/11.4.1|x|-|-|-|-|-|-|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/DFT-D4.md b/mkdocs/docs/HPC/only/gent/available_software/detail/DFT-D4.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+DFT-D4
+======
+
+# Available modules
+
+
+The overview below shows which DFT-D4 installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using DFT-D4, load one of these modules using a `module load` command like:
+
+```shell
+module load DFT-D4/3.7.0-gomkl-2023b
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|DFT-D4/3.7.0-gomkl-2023b|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
@@ -23,6 +23,7 @@ module load GROMACS/2024.4-foss-2023b-CUDA-12.4.0-PLUMED-2.9.2
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |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/2024.4-foss-2023b|-|x|x|x|x|x|x|
 |GROMACS/2024.3-foss-2023b-PLUMED-2.9.2|-|-|-|-|-|x|x|
 |GROMACS/2024.3-foss-2023b-CUDA-12.4.0|-|-|-|-|x|-|-|
 |GROMACS/2024.3-foss-2023b|-|-|-|-|-|x|x|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Lightning.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Lightning.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+Lightning
+=========
+
+# Available modules
+
+
+The overview below shows which Lightning installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using Lightning, load one of these modules using a `module load` command like:
+
+```shell
+module load Lightning/2.2.1-foss-2023a-CUDA-12.1.1
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|Lightning/2.2.1-foss-2023a-CUDA-12.1.1|x|-|-|-|x|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/UCX-CUDA.md b/mkdocs/docs/HPC/only/gent/available_software/detail/UCX-CUDA.md
@@ -22,7 +22,7 @@ module load UCX-CUDA/1.15.0-GCCcore-13.2.0-CUDA-12.5.0
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |UCX-CUDA/1.15.0-GCCcore-13.2.0-CUDA-12.5.0|x|-|x|-|x|-|-|
-|UCX-CUDA/1.15.0-GCCcore-13.2.0-CUDA-12.4.0|-|-|-|-|x|-|-|
+|UCX-CUDA/1.15.0-GCCcore-13.2.0-CUDA-12.4.0|x|-|-|-|x|-|-|
 |UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.1.1|x|-|x|-|x|x|x|
 |UCX-CUDA/1.12.1-GCCcore-11.3.0-CUDA-11.7.0|x|-|x|-|-|-|-|
 |UCX-CUDA/1.11.2-GCCcore-11.2.0-CUDA-11.4.1|x|-|-|-|-|-|-|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Wannier90.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Wannier90.md
@@ -24,6 +24,7 @@ module load Wannier90/3.1.0-intel-2022a
 |Wannier90/3.1.0-intel-2022a|-|-|x|-|-|-|-|
 |Wannier90/3.1.0-intel-2020b|-|x|x|x|-|-|-|
 |Wannier90/3.1.0-intel-2020a|-|x|x|-|-|-|-|
+|Wannier90/3.1.0-gomkl-2023b|x|-|-|-|x|-|x|
 |Wannier90/3.1.0-gomkl-2023a|x|x|x|x|-|x|x|
 |Wannier90/3.1.0-gomkl-2021a|x|x|x|x|-|-|-|
 |Wannier90/3.1.0-foss-2023a|x|x|x|x|-|x|x|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/gomkl.md b/mkdocs/docs/HPC/only/gent/available_software/detail/gomkl.md
@@ -14,13 +14,14 @@ The overview below shows which gomkl installations are available per HPC-UGent T
 To start using gomkl, load one of these modules using a `module load` command like:
 
 ```shell
-module load gomkl/2023a
+module load gomkl/2023b
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|gomkl/2023b|x|x|x|x|x|x|x|
 |gomkl/2023a|x|x|x|x|-|x|x|
 |gomkl/2021a|x|x|x|x|-|-|-|
 |gomkl/2020a|-|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/imbalanced-learn.md b/mkdocs/docs/HPC/only/gent/available_software/detail/imbalanced-learn.md
@@ -14,11 +14,12 @@ The overview below shows which imbalanced-learn installations are available per
 To start using imbalanced-learn, load one of these modules using a `module load` command like:
 
 ```shell
-module load imbalanced-learn/0.10.1-foss-2022a
+module load imbalanced-learn/0.12.3-gfbf-2022b
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|imbalanced-learn/0.12.3-gfbf-2022b|-|x|x|x|-|-|-|
 |imbalanced-learn/0.10.1-foss-2022a|x|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/imkl.md b/mkdocs/docs/HPC/only/gent/available_software/detail/imkl.md
@@ -14,13 +14,14 @@ The overview below shows which imkl installations are available per HPC-UGent Ti
 To start using imkl, load one of these modules using a `module load` command like:
 
 ```shell
-module load imkl/2023.2.0
+module load imkl/2023.2.0-gompi-2023b
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|imkl/2023.2.0-gompi-2023b|x|x|x|x|x|x|x|
 |imkl/2023.2.0|x|x|x|x|-|x|x|
 |imkl/2023.1.0-gompi-2023a|-|-|x|-|-|-|x|
 |imkl/2023.1.0|x|x|x|x|x|x|x|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/json-fortran.md b/mkdocs/docs/HPC/only/gent/available_software/detail/json-fortran.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+json-fortran
+============
+
+# Available modules
+
+
+The overview below shows which json-fortran installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using json-fortran, load one of these modules using a `module load` command like:
+
+```shell
+module load json-fortran/9.0.2-GCC-13.2.0
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|json-fortran/9.0.2-GCC-13.2.0|x|-|-|-|x|-|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/libxc.md b/mkdocs/docs/HPC/only/gent/available_software/detail/libxc.md
@@ -14,13 +14,14 @@ The overview below shows which libxc installations are available per HPC-UGent T
 To start using libxc, load one of these modules using a `module load` command like:
 
 ```shell
-module load libxc/6.2.2-GCC-12.3.0
+module load libxc/6.2.2-GCC-13.2.0-nofhc
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|libxc/6.2.2-GCC-13.2.0-nofhc|x|-|-|-|x|-|x|
 |libxc/6.2.2-GCC-12.3.0|x|x|x|x|x|x|x|
 |libxc/6.1.0-GCC-12.2.0|x|x|x|x|-|-|-|
 |libxc/5.2.3-intel-compilers-2022.1.0|x|x|x|x|-|-|-|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/lifelines.md b/mkdocs/docs/HPC/only/gent/available_software/detail/lifelines.md
@@ -14,11 +14,12 @@ The overview below shows which lifelines installations are available per HPC-UGe
 To start using lifelines, load one of these modules using a `module load` command like:
 
 ```shell
-module load lifelines/0.27.4-foss-2022a
+module load lifelines/0.27.7-foss-2022b
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|lifelines/0.27.7-foss-2022b|-|-|x|x|-|-|-|
 |lifelines/0.27.4-foss-2022a|x|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/mctc-lib.md b/mkdocs/docs/HPC/only/gent/available_software/detail/mctc-lib.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+mctc-lib
+========
+
+# Available modules
+
+
+The overview below shows which mctc-lib installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using mctc-lib, load one of these modules using a `module load` command like:
+
+```shell
+module load mctc-lib/0.3.1-GCC-13.2.0
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|mctc-lib/0.3.1-GCC-13.2.0|x|-|-|-|x|-|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/mstore.md b/mkdocs/docs/HPC/only/gent/available_software/detail/mstore.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+mstore
+======
+
+# Available modules
+
+
+The overview below shows which mstore installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using mstore, load one of these modules using a `module load` command like:
+
+```shell
+module load mstore/0.3.0-GCC-13.2.0
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|mstore/0.3.0-GCC-13.2.0|x|-|-|-|x|-|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/multicharge.md b/mkdocs/docs/HPC/only/gent/available_software/detail/multicharge.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+multicharge
+===========
+
+# Available modules
+
+
+The overview below shows which multicharge installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using multicharge, load one of these modules using a `module load` command like:
+
+```shell
+module load multicharge/0.3.0-gomkl-2023b
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|multicharge/0.3.0-gomkl-2023b|x|-|-|-|x|-|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/scikit-build-core.md b/mkdocs/docs/HPC/only/gent/available_software/detail/scikit-build-core.md
@@ -21,5 +21,5 @@ module load scikit-build-core/0.9.3-GCCcore-13.2.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|scikit-build-core/0.9.3-GCCcore-13.2.0|x|-|x|-|x|x|x|
+|scikit-build-core/0.9.3-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |scikit-build-core/0.5.0-GCCcore-12.3.0|x|x|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: Fri, 15 Nov 2024 at 15:44:37 CET # This line is automatically updated by scripts/available_modules/available_modules.py
+modules_last_updated: Sat, 16 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