Update Modules [14 November 2024, 15:43]

admin6 · admin6 · commit 89b4efd0f228 · 2024-11-14T15:44:39.000+01:00
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|
+|BindCraft/1.1.0-foss-2023a|x|x|x|x|-|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Block.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Block.md
@@ -21,6 +21,6 @@ module load Block/1.5.3-20200525-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|Block/1.5.3-20200525-foss-2023a|-|-|-|-|-|x|x|
+|Block/1.5.3-20200525-foss-2023a|x|x|x|x|x|x|x|
 |Block/1.5.3-20200525-foss-2022b|x|x|x|x|-|-|-|
 |Block/1.5.3-20200525-foss-2022a|-|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Boost.MPI.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Boost.MPI.md
@@ -22,7 +22,7 @@ module load Boost.MPI/1.83.0-gompi-2023b
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |Boost.MPI/1.83.0-gompi-2023b|-|-|-|-|-|-|x|
-|Boost.MPI/1.82.0-gompi-2023a|x|x|x|x|-|x|x|
+|Boost.MPI/1.82.0-gompi-2023a|x|x|x|x|x|x|x|
 |Boost.MPI/1.81.0-gompi-2022b|x|x|x|x|-|-|-|
 |Boost.MPI/1.79.0-gompi-2022a|-|x|x|x|-|-|-|
 |Boost.MPI/1.77.0-gompi-2021b|x|x|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/CPPE.md b/mkdocs/docs/HPC/only/gent/available_software/detail/CPPE.md
@@ -21,6 +21,6 @@ module load CPPE/0.3.1-GCC-12.3.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|CPPE/0.3.1-GCC-12.3.0|-|-|-|-|-|x|x|
+|CPPE/0.3.1-GCC-12.3.0|x|x|x|x|x|x|x|
 |CPPE/0.3.1-GCC-12.2.0|x|x|x|x|-|-|-|
 |CPPE/0.3.1-GCC-11.3.0|-|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/CVXOPT.md b/mkdocs/docs/HPC/only/gent/available_software/detail/CVXOPT.md
@@ -14,12 +14,13 @@ The overview below shows which CVXOPT installations are available per HPC-UGent
 To start using CVXOPT, load one of these modules using a `module load` command like:
 
 ```shell
-module load CVXOPT/1.3.1-foss-2022a
+module load CVXOPT/1.3.2-foss-2023a
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|CVXOPT/1.3.2-foss-2023a|x|-|-|-|x|-|-|
 |CVXOPT/1.3.1-foss-2022a|x|x|x|x|-|-|-|
 |CVXOPT/1.2.4-intel-2019b-Python-3.7.4|-|x|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/CheMPS2.md b/mkdocs/docs/HPC/only/gent/available_software/detail/CheMPS2.md
@@ -21,6 +21,6 @@ module load CheMPS2/1.8.12-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|CheMPS2/1.8.12-foss-2023a|-|-|-|-|-|x|x|
+|CheMPS2/1.8.12-foss-2023a|x|x|x|x|x|x|x|
 |CheMPS2/1.8.12-foss-2022b|x|x|x|x|-|-|-|
 |CheMPS2/1.8.12-foss-2022a|-|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Dice.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Dice.md
@@ -21,6 +21,6 @@ module load Dice/20240702-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|Dice/20240702-foss-2023a|-|-|-|-|-|x|x|
+|Dice/20240702-foss-2023a|x|x|x|x|x|x|x|
 |Dice/20240101-foss-2022b|x|x|x|x|-|-|-|
 |Dice/20221025-foss-2022a|-|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|
+|Flax/0.8.4-gfbf-2023a|x|x|x|x|-|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/NECI.md b/mkdocs/docs/HPC/only/gent/available_software/detail/NECI.md
@@ -21,6 +21,6 @@ module load NECI/20230620-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|NECI/20230620-foss-2023a|x|x|x|x|-|x|x|
+|NECI/20230620-foss-2023a|x|x|x|x|x|x|x|
 |NECI/20230620-foss-2022b|x|x|x|x|-|-|-|
 |NECI/20220711-foss-2022a|-|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/OpenBLAS.md b/mkdocs/docs/HPC/only/gent/available_software/detail/OpenBLAS.md
@@ -21,7 +21,7 @@ module load OpenBLAS/0.3.27-GCC-13.3.0-seq-iface64
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|OpenBLAS/0.3.27-GCC-13.3.0-seq-iface64|-|x|x|x|-|x|x|
+|OpenBLAS/0.3.27-GCC-13.3.0-seq-iface64|x|x|x|x|-|x|x|
 |OpenBLAS/0.3.27-GCC-13.3.0|x|x|x|x|-|x|x|
 |OpenBLAS/0.3.24-GCC-13.2.0|x|x|x|x|x|x|x|
 |OpenBLAS/0.3.23-GCC-12.3.0|x|x|x|x|x|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/OpenMM.md b/mkdocs/docs/HPC/only/gent/available_software/detail/OpenMM.md
@@ -22,7 +22,7 @@ module load OpenMM/8.0.0-foss-2023a-CUDA-12.1.1
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |OpenMM/8.0.0-foss-2023a-CUDA-12.1.1|x|-|x|-|x|-|-|
-|OpenMM/8.0.0-foss-2023a|x|x|x|x|-|x|x|
+|OpenMM/8.0.0-foss-2023a|x|x|x|x|x|x|x|
 |OpenMM/8.0.0-foss-2022a-CUDA-11.7.0|x|-|x|-|-|-|-|
 |OpenMM/8.0.0-foss-2022a|x|x|x|x|-|-|-|
 |OpenMM/7.7.0-foss-2022a-CUDA-11.7.0|-|-|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/POT.md b/mkdocs/docs/HPC/only/gent/available_software/detail/POT.md
@@ -14,11 +14,12 @@ The overview below shows which POT installations are available per HPC-UGent Tie
 To start using POT, load one of these modules using a `module load` command like:
 
 ```shell
-module load POT/0.9.0-foss-2022a
+module load POT/0.9.3-foss-2023a-CUDA-12.1.1
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|POT/0.9.3-foss-2023a-CUDA-12.1.1|x|-|-|-|x|-|-|
 |POT/0.9.0-foss-2022a|x|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/PyBerny.md b/mkdocs/docs/HPC/only/gent/available_software/detail/PyBerny.md
@@ -21,7 +21,7 @@ module load PyBerny/0.6.3-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|PyBerny/0.6.3-foss-2023a|-|-|-|-|-|x|x|
+|PyBerny/0.6.3-foss-2023a|x|x|x|x|x|x|x|
 |PyBerny/0.6.3-foss-2022b|x|x|x|x|-|-|-|
 |PyBerny/0.6.3-foss-2022a|-|x|x|x|-|-|-|
 |PyBerny/0.6.2-intel-2020a-Python-3.8.2|-|x|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/PyBioLib.md b/mkdocs/docs/HPC/only/gent/available_software/detail/PyBioLib.md
@@ -22,3 +22,4 @@ module load PyBioLib/1.2.205-GCCcore-12.3.0
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |PyBioLib/1.2.205-GCCcore-12.3.0|x|x|x|x|-|x|x|
+|PyBioLib/1.1.2250-GCCcore-12.3.0|x|x|x|x|-|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/PyCheMPS2.md b/mkdocs/docs/HPC/only/gent/available_software/detail/PyCheMPS2.md
@@ -21,6 +21,6 @@ module load PyCheMPS2/1.8.12-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|PyCheMPS2/1.8.12-foss-2023a|-|-|-|-|-|x|x|
+|PyCheMPS2/1.8.12-foss-2023a|x|x|x|x|x|x|x|
 |PyCheMPS2/1.8.12-foss-2022b|x|x|x|x|-|-|-|
 |PyCheMPS2/1.8.12-foss-2022a|-|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/PyRosetta.md b/mkdocs/docs/HPC/only/gent/available_software/detail/PyRosetta.md
@@ -21,4 +21,4 @@ module load PyRosetta/4.release-387-gompi-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|PyRosetta/4.release-387-gompi-2023a|-|x|x|x|-|x|x|
+|PyRosetta/4.release-387-gompi-2023a|x|x|x|x|x|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/PySCF.md b/mkdocs/docs/HPC/only/gent/available_software/detail/PySCF.md
@@ -21,7 +21,7 @@ module load PySCF/2.7.0-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|PySCF/2.7.0-foss-2023a|-|-|-|-|-|x|x|
+|PySCF/2.7.0-foss-2023a|x|x|x|x|x|x|x|
 |PySCF/2.4.0-foss-2022b|x|x|x|x|-|-|-|
 |PySCF/2.1.1-foss-2022a|-|x|x|x|-|-|-|
 |PySCF/1.7.6-gomkl-2021a|x|x|x|x|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/TransDecoder.md b/mkdocs/docs/HPC/only/gent/available_software/detail/TransDecoder.md
@@ -14,11 +14,12 @@ The overview below shows which TransDecoder installations are available per HPC-
 To start using TransDecoder, load one of these modules using a `module load` command like:
 
 ```shell
-module load TransDecoder/5.5.0-GCC-10.2.0
+module load TransDecoder/5.7.1-GCC-12.3.0
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|TransDecoder/5.7.1-GCC-12.3.0|x|x|x|x|-|x|x|
 |TransDecoder/5.5.0-GCC-10.2.0|-|x|x|-|-|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/Trinotate.md b/mkdocs/docs/HPC/only/gent/available_software/detail/Trinotate.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+Trinotate
+=========
+
+# Available modules
+
+
+The overview below shows which Trinotate installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using Trinotate, load one of these modules using a `module load` command like:
+
+```shell
+module load Trinotate/4.0.2-foss-2023a
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|Trinotate/4.0.2-foss-2023a|x|x|x|x|-|x|x|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/XCFun.md b/mkdocs/docs/HPC/only/gent/available_software/detail/XCFun.md
@@ -21,7 +21,7 @@ module load XCFun/2.1.1-GCCcore-12.3.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|XCFun/2.1.1-GCCcore-12.3.0|-|-|-|-|-|x|x|
+|XCFun/2.1.1-GCCcore-12.3.0|x|x|x|x|x|x|x|
 |XCFun/2.1.1-GCCcore-12.2.0|x|x|x|x|-|-|-|
 |XCFun/2.1.1-GCCcore-11.3.0|-|x|x|x|-|-|-|
 |XCFun/2.1.1-GCCcore-10.3.0|x|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|
+|dm-haiku/0.0.13-foss-2023a|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/libcint.md b/mkdocs/docs/HPC/only/gent/available_software/detail/libcint.md
@@ -22,7 +22,7 @@ module load libcint/5.5.0-gfbf-2022b
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |libcint/5.5.0-gfbf-2022b|x|x|x|x|-|-|-|
-|libcint/5.4.0-gfbf-2023a|-|-|-|-|-|x|x|
+|libcint/5.4.0-gfbf-2023a|x|x|x|x|x|x|x|
 |libcint/5.1.6-foss-2022a|-|x|x|x|-|-|-|
 |libcint/4.4.0-gomkl-2021a|x|x|x|x|-|-|-|
 |libcint/4.4.0-foss-2021a|x|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
@@ -21,7 +21,7 @@ module load libxc/6.2.2-GCC-12.3.0
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|libxc/6.2.2-GCC-12.3.0|x|x|x|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|-|-|-|
 |libxc/5.2.3-GCC-11.3.0|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|
+|py3Dmol/2.1.0-GCCcore-12.3.0|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
@@ -14,12 +14,13 @@ The overview below shows which pyWannier90 installations are available per HPC-U
 To start using pyWannier90, load one of these modules using a `module load` command like:
 
 ```shell
-module load pyWannier90/2021-12-07-gomkl-2021a
+module load pyWannier90/2024-01-28-foss-2023a
 ```
 
 *(This data was automatically generated on {{modules_last_updated}})*  
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|pyWannier90/2024-01-28-foss-2023a|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/scTIE.md b/mkdocs/docs/HPC/only/gent/available_software/detail/scTIE.md
@@ -0,0 +1,24 @@
+---
+hide:
+  - toc
+---
+
+scTIE
+=====
+
+# Available modules
+
+
+The overview below shows which scTIE installations are available per HPC-UGent Tier-2 cluster, ordered based on software version (new to old).
+
+To start using scTIE, load one of these modules using a `module load` command like:
+
+```shell
+module load scTIE/20231205-foss-2023a-CUDA-12.1.1
+```
+
+*(This data was automatically generated on {{modules_last_updated}})*  
+
+| |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|scTIE/20231205-foss-2023a-CUDA-12.1.1|x|-|-|-|x|-|-|
diff --git a/mkdocs/docs/HPC/only/gent/available_software/detail/tblis.md b/mkdocs/docs/HPC/only/gent/available_software/detail/tblis.md
@@ -21,4 +21,4 @@ module load tblis/20230422-foss-2023a
 
 | |accelgor|doduo|donphan|gallade|joltik|shinx|skitty|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
-|tblis/20230422-foss-2023a|-|x|x|-|-|x|x|
+|tblis/20230422-foss-2023a|x|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: Wed, 13 Nov 2024 at 15:44:32 CET # This line is automatically updated by scripts/available_modules/available_modules.py
+modules_last_updated: Thu, 14 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
