Merge pull request #260 from EESSIbot/update-software-overview-172320…

…6535 update overview of available software
EESSI · Aug 9, 2024 · 5ee263f · 5ee263f
2 parents 3ed9fd2 + 7565dba
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diff --git a/docs/available_software/data/json_data.json b/docs/available_software/data/json_data.json
diff --git a/docs/available_software/data/json_data_detail.json b/docs/available_software/data/json_data_detail.json
diff --git a/docs/available_software/detail/Biopython.md b/docs/available_software/detail/Biopython.md
@@ -26,3 +26,4 @@ module load Biopython/1.83-foss-2023a
 | |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |Biopython/1.83-foss-2023a|x|x|x|x|x|x|-|x|x|
+|Biopython/1.81-foss-2022b|x|x|x|x|x|x|-|x|x|
diff --git a/docs/available_software/detail/MDAnalysis.md b/docs/available_software/detail/MDAnalysis.md
@@ -0,0 +1,35 @@
+---
+hide:
+  - toc
+---
+
+MDAnalysis
+==========
+
+
+MDAnalysis is an object-oriented Python library to analyze trajectories from molecular dynamics (MD)simulations in many popular formats.
+
+https://www.mdanalysis.org/
+# Available modules
+
+
+The overview below shows which MDAnalysis installations are available per target architecture in EESSI, ordered based on software version (new to old).
+
+To start using MDAnalysis, load one of these modules using a `module load` command like:
+
+```shell
+module load MDAnalysis/2.4.2-foss-2022b
+```
+
+*(This data was automatically generated on {{ generated_time }})*  
+
+| |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
+| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
+|MDAnalysis/2.4.2-foss-2022b|x|x|x|x|x|x|-|x|x|
+
+
+### MDAnalysis/2.4.2-foss-2022b
+
+This is a list of extensions included in the module:
+
+fasteners-0.18, funcsigs-1.0.2, GridDataFormats-1.0.1, gsd-2.8.0, MDAnalysis-2.4.2, mmtf-python-1.1.3, mrcfile-1.4.3, msgpack-1.0.5
diff --git a/docs/available_software/detail/networkx.md b/docs/available_software/detail/networkx.md
@@ -27,3 +27,4 @@ module load networkx/3.2.1-gfbf-2023b
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |networkx/3.2.1-gfbf-2023b|x|x|x|x|x|x|x|x|x|
 |networkx/3.1-gfbf-2023a|x|x|x|x|x|x|-|x|x|
+|networkx/3.0-gfbf-2022b|x|x|x|x|x|x|-|x|x|
diff --git a/docs/available_software/detail/tqdm.md b/docs/available_software/detail/tqdm.md
@@ -26,3 +26,4 @@ module load tqdm/4.66.2-GCCcore-13.2.0
 | |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
 | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
 |tqdm/4.66.2-GCCcore-13.2.0|x|x|x|x|x|x|x|x|x|
+|tqdm/4.64.1-GCCcore-12.2.0|x|x|x|x|x|x|-|x|x|
diff --git a/mkdocs.yml b/mkdocs.yml
@@ -126,7 +126,7 @@ extra:
     - icon: fontawesome/brands/twitter
       link: https://twitter.com/eessi_hpc
   # this gets auto-updated via update_generated_time.sh script run in update_available_software.yml action
-  generated_time: "Fri, 09 Aug 2024 at 11:44:53 UTC"
+  generated_time: "Fri, 09 Aug 2024 at 12:28:54 UTC"
 extra_javascript:
   # mermaid diagram
   - https://cdn.jsdelivr.net/npm/mermaid@10/dist/mermaid.esm.min.mjs