Merge pull request #859 from hpcugentbot/auto_update_modules_2025-02-…

…10_15-43 Auto Update Modules [10 February 2025, 15:43]
hpcugent · Feb 10, 2025 · c202ea6 · c202ea6
2 parents 5934d9c + 415af8b
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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/Flask.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Flask.md
@@ -14,13 +14,14 @@ The overview below shows which Flask installations are available per HPC-UGent T
 To start using Flask, load one of these modules using a `module load` command like:
 
 ```shell
-module load Flask/2.3.3-GCCcore-12.3.0
+module load Flask/3.0.0-GCCcore-13.2.0
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|Flask/3.0.0-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |Flask/2.3.3-GCCcore-12.3.0|x|x|x|x|x|x|x|
 |Flask/2.2.2-GCCcore-11.3.0|-|x|x|x|-|-|-|
 |Flask/2.0.2-GCCcore-11.2.0|-|x|x|-|-|-|-|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/PDM.md b/mkdocs/docs/HPC/only/gent/available_software/detail/PDM.md
@@ -14,11 +14,12 @@ The overview below shows which PDM installations are available per HPC-UGent Tie
 To start using PDM, load one of these modules using a `module load` command like:
 
 ```shell
-module load PDM/2.12.4-GCCcore-12.3.0
+module load PDM/2.18.2-GCCcore-13.2.0
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|PDM/2.18.2-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |PDM/2.12.4-GCCcore-12.3.0|x|-|x|-|x|x|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Rust.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Rust.md
@@ -22,7 +22,7 @@ module load Rust/1.78.0-GCCcore-13.3.0
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |Rust/1.78.0-GCCcore-13.3.0|x|x|x|x|x|x|x|
-|Rust/1.76.0-GCCcore-13.2.0|-|x|x|x|-|x|x|
+|Rust/1.76.0-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |Rust/1.75.0-GCCcore-12.3.0|x|x|x|x|x|x|x|
 |Rust/1.75.0-GCCcore-12.2.0|-|x|x|x|-|-|-|
 |Rust/1.73.0-GCCcore-13.2.0|x|x|x|x|x|x|x|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/attr.md b/mkdocs/docs/HPC/only/gent/available_software/detail/attr.md
@@ -14,12 +14,13 @@ The overview below shows which attr installations are available per HPC-UGent Ti
 To start using attr, load one of these modules using a `module load` command like:
 
 ```shell
-module load attr/2.5.1-GCCcore-11.3.0
+module load attr/2.5.1-GCCcore-12.3.0
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|attr/2.5.1-GCCcore-12.3.0|x|-|-|-|-|-|-|
 |attr/2.5.1-GCCcore-11.3.0|-|x|x|x|-|-|-|
 |attr/2.5.1-GCCcore-11.2.0|-|x|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/boto3.md b/mkdocs/docs/HPC/only/gent/available_software/detail/boto3.md
@@ -14,13 +14,14 @@ The overview below shows which boto3 installations are available per HPC-UGent T
 To start using boto3, load one of these modules using a `module load` command like:
 
 ```shell
-module load boto3/1.34.10-GCCcore-12.2.0
+module load boto3/1.36.16-GCCcore-13.2.0
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|boto3/1.36.16-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |boto3/1.34.10-GCCcore-12.2.0|-|x|x|x|-|-|-|
 |boto3/1.28.70-GCCcore-12.3.0|x|x|x|x|-|x|x|
 |boto3/1.26.163-GCCcore-12.2.0|-|x|x|x|-|-|-|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/dtcmp.md b/mkdocs/docs/HPC/only/gent/available_software/detail/dtcmp.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+dtcmp
+=====
+
+# Available modules
+
+
+The overview below shows which dtcmp installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using dtcmp, load one of these modules using a `module load` command like:
+
+```shell
+module load dtcmp/1.1.4-gompi-2023a
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|dtcmp/1.1.4-gompi-2023a|x|-|-|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/libcircle.md b/mkdocs/docs/HPC/only/gent/available_software/detail/libcircle.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+libcircle
+=========
+
+# Available modules
+
+
+The overview below shows which libcircle installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using libcircle, load one of these modules using a `module load` command like:
+
+```shell
+module load libcircle/0.3-gompi-2023a
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|libcircle/0.3-gompi-2023a|x|-|-|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/lwgrp.md b/mkdocs/docs/HPC/only/gent/available_software/detail/lwgrp.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+lwgrp
+=====
+
+# Available modules
+
+
+The overview below shows which lwgrp installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using lwgrp, load one of these modules using a `module load` command like:
+
+```shell
+module load lwgrp/1.0.5-gompi-2023a
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|lwgrp/1.0.5-gompi-2023a|x|-|-|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/maturin.md b/mkdocs/docs/HPC/only/gent/available_software/detail/maturin.md
@@ -22,7 +22,7 @@ module load maturin/1.6.0-GCCcore-13.3.0
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |maturin/1.6.0-GCCcore-13.3.0|x|x|x|x|x|x|x|
-|maturin/1.5.0-GCCcore-13.2.0-Rust-1.76.0|-|x|x|x|-|x|x|
+|maturin/1.5.0-GCCcore-13.2.0-Rust-1.76.0|x|x|x|x|x|x|x|
 |maturin/1.4.0-GCCcore-12.3.0-Rust-1.75.0|x|x|x|x|x|x|x|
 |maturin/1.4.0-GCCcore-12.2.0-Rust-1.75.0|-|x|x|x|-|-|-|
 |maturin/1.3.1-GCCcore-13.2.0|x|x|x|x|x|x|x|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/mpifileutils.md b/mkdocs/docs/HPC/only/gent/available_software/detail/mpifileutils.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+mpifileutils
+============
+
+# Available modules
+
+
+The overview below shows which mpifileutils installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using mpifileutils, load one of these modules using a `module load` command like:
+
+```shell
+module load mpifileutils/0.11.1-gompi-2023a
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|mpifileutils/0.11.1-gompi-2023a|x|-|-|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/orjson.md b/mkdocs/docs/HPC/only/gent/available_software/detail/orjson.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+orjson
+======
+
+# Available modules
+
+
+The overview below shows which orjson installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using orjson, load one of these modules using a `module load` command like:
+
+```shell
+module load orjson/3.10.10-GCCcore-13.2.0
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|orjson/3.10.10-GCCcore-13.2.0|x|x|x|x|x|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/paramiko.md b/mkdocs/docs/HPC/only/gent/available_software/detail/paramiko.md
@@ -14,11 +14,12 @@ The overview below shows which paramiko installations are available per HPC-UGen
 To start using paramiko, load one of these modules using a `module load` command like:
 
 ```shell
-module load paramiko/3.2.0-GCCcore-12.3.0
+module load paramiko/3.5.1-GCCcore-13.2.0
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|paramiko/3.5.1-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |paramiko/3.2.0-GCCcore-12.3.0|x|x|x|x|x|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/plotly.py.md b/mkdocs/docs/HPC/only/gent/available_software/detail/plotly.py.md
@@ -21,7 +21,7 @@ module load plotly.py/5.18.0-GCCcore-13.2.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|plotly.py/5.18.0-GCCcore-13.2.0|-|x|x|x|-|x|x|
+|plotly.py/5.18.0-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |plotly.py/5.16.0-GCCcore-12.3.0|x|x|x|x|x|x|x|
 |plotly.py/5.13.1-GCCcore-12.2.0|-|x|x|x|-|-|-|
 |plotly.py/5.12.0-GCCcore-11.3.0|-|x|x|x|-|-|-|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/pydantic.md b/mkdocs/docs/HPC/only/gent/available_software/detail/pydantic.md
@@ -21,8 +21,8 @@ module load pydantic/2.7.4-GCCcore-13.2.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|pydantic/2.7.4-GCCcore-13.2.0|-|x|x|x|-|x|x|
-|pydantic/2.6.4-GCCcore-13.2.0|-|x|x|x|-|-|x|
+|pydantic/2.7.4-GCCcore-13.2.0|x|x|x|x|x|x|x|
+|pydantic/2.6.4-GCCcore-13.2.0|-|x|x|x|x|x|x|
 |pydantic/2.5.3-GCCcore-12.3.0|x|x|x|x|x|x|x|
 |pydantic/2.5.3-GCCcore-12.2.0|-|x|x|x|-|-|-|
 |pydantic/1.10.13-GCCcore-12.3.0|-|x|x|x|x|x|x|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/pymatgen.md b/mkdocs/docs/HPC/only/gent/available_software/detail/pymatgen.md
@@ -14,12 +14,13 @@ The overview below shows which pymatgen installations are available per HPC-UGen
 To start using pymatgen, load one of these modules using a `module load` command like:
 
 ```shell
-module load pymatgen/2022.9.21-foss-2022a
+module load pymatgen/2024.5.1-foss-2023b
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|pymatgen/2024.5.1-foss-2023b|-|x|x|-|x|x|x|
 |pymatgen/2022.9.21-foss-2022a|-|x|x|-|-|-|-|
 |pymatgen/2022.0.4-foss-2020b|-|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/ruamel.yaml.md b/mkdocs/docs/HPC/only/gent/available_software/detail/ruamel.yaml.md
@@ -21,7 +21,7 @@ module load ruamel.yaml/0.18.6-GCCcore-13.2.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|ruamel.yaml/0.18.6-GCCcore-13.2.0|-|x|x|x|-|x|x|
+|ruamel.yaml/0.18.6-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |ruamel.yaml/0.17.32-GCCcore-12.3.0|-|x|x|x|-|x|x|
 |ruamel.yaml/0.17.21-GCCcore-11.3.0|-|x|x|x|-|-|-|
 |ruamel.yaml/0.17.21-GCCcore-11.2.0|-|x|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/spglib-python.md b/mkdocs/docs/HPC/only/gent/available_software/detail/spglib-python.md
@@ -14,13 +14,14 @@ The overview below shows which spglib-python installations are available per HPC
 To start using spglib-python, load one of these modules using a `module load` command like:
 
 ```shell
-module load spglib-python/2.1.0-gfbf-2023a
+module load spglib-python/2.5.0-gfbf-2023b
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|spglib-python/2.5.0-gfbf-2023b|x|x|x|x|x|x|x|
 |spglib-python/2.1.0-gfbf-2023a|-|x|x|x|-|x|x|
 |spglib-python/2.0.0-intel-2022a|-|x|x|x|-|-|-|
 |spglib-python/2.0.0-foss-2022a|-|x|x|x|-|-|-|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/typing-extensions.md b/mkdocs/docs/HPC/only/gent/available_software/detail/typing-extensions.md
@@ -21,7 +21,7 @@ module load typing-extensions/4.10.0-GCCcore-13.2.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|typing-extensions/4.10.0-GCCcore-13.2.0|-|x|x|x|-|x|x|
+|typing-extensions/4.10.0-GCCcore-13.2.0|x|x|x|x|x|x|x|
 |typing-extensions/4.9.0-GCCcore-12.3.0|x|x|x|x|x|x|x|
 |typing-extensions/4.9.0-GCCcore-12.2.0|-|x|x|x|-|-|-|
 |typing-extensions/4.8.0-GCCcore-12.3.0|-|x|-|x|-|-|-|

diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/uncertainties.md b/mkdocs/docs/HPC/only/gent/available_software/detail/uncertainties.md
@@ -14,11 +14,12 @@ The overview below shows which uncertainties installations are available per HPC
 To start using uncertainties, load one of these modules using a `module load` command like:
 
 ```shell
-module load uncertainties/3.1.7-foss-2021b
+module load uncertainties/3.2.2-foss-2023b
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|uncertainties/3.2.2-foss-2023b|x|x|x|x|x|x|x|
 |uncertainties/3.1.7-foss-2021b|-|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: Sat, 08 Feb 2025 at 15:45:16 CET # This line is automatically updated by scripts/available_modules/available_modules.py
+modules_last_updated: Mon, 10 Feb 2025 at 15:45:25 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