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6 changes: 6 additions & 0 deletions .github/workflows/update_available_software.yml
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Expand Up @@ -34,6 +34,12 @@ jobs:
cp docs/available_software/data/json_data.json docs/available_software/data/json_data.json.orig
cp docs/available_software/data/json_data_detail.json docs/available_software/data/json_data_detail.json.orig

# download https://eessi.io/api_data/data/eessi_api_metadata_software.json
# to where it's expected by docs/available_software/macros.py and scripts/available_software/available_software.py
cd docs/available_software/data/
curl -OL https://eessi.io/api_data/data/eessi_api_metadata_software.json
cd -

export TIME_GENERATED_TEMPLATE="{{ generated_time }}"
python scripts/available_software/available_software.py
./scripts/update_generated_time.sh mkdocs.yml
Expand Down
117 changes: 55 additions & 62 deletions docs/available_software/detail/AITW-microstructures.md
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@@ -1,62 +1,55 @@
---
hide:
- toc
json_ld:
'@context': https://schema.org
'@type': SoftwareApplication
applicationCategory: DeveloperApplication
description: AI-TranspWood - Generate realistic microstructure models of wood (birch,
spruce, etc.) from a set ofgiven parameters. This is a port of the original MATLAB
code to Python.
license: Not confirmed
name: AITW-microstructures
offers:
'@type': Offer
price: 0
operatingSystem: LINUX
review:
'@type': Review
author:
'@type': Organization
name: EESSI
reviewBody: Application has been successfully made available on all architectures
supported by EESSI
reviewRating:
'@type': Rating
ratingValue: 5
softwareRequirements: See https://www.eessi.io/docs/ for how to make EESSI available
on your system
softwareVersion: '[''AITW-microstructures/1.0.0-foss-2023a'']'
url: https://www.ai-transpwood-project.eu/
---

AITW-microstructures
====================


AI-TranspWood - Generate realistic microstructure models of wood (birch, spruce, etc.) from a set ofgiven parameters. This is a port of the original MATLAB code to Python.

https://www.ai-transpwood-project.eu/
# Available modules


The overview below shows which AITW-microstructures installations are available per target architecture in EESSI, ordered based on software version (new to old).

To start using AITW-microstructures, load one of these modules using a `module load` command like:

```shell
module load AITW-microstructures/1.0.0-foss-2023a
```

*(This data was automatically generated on {{ generated_time }})*

| |aarch64/generic|aarch64/a64fx|aarch64/neoverse_n1|aarch64/neoverse_v1|aarch64/nvidia/grace|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/cascadelake|x86_64/intel/haswell|x86_64/intel/icelake|x86_64/intel/sapphirerapids|x86_64/intel/skylake_avx512|
| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
|AITW-microstructures/1.0.0-foss-2023a|x|x|x|x|x|x|x|x|x|x|x|x|x|x|


### AITW-microstructures/1.0.0-foss-2023a

This is a list of extensions included in the module:

AITW-microstructures-1.0.0, nptyping-2.5.0, pynrrd-1.0.0, textual-0.61.0, trogon-0.6.0
# AITW-microstructures


AI-TranspWood - Generate realistic microstructure models of wood (birch, spruce, etc.) from a set of
given parameters. This is a port of the original MATLAB code to Python.


<small>homepage: </small><span class="software-link">[https://www.ai-transpwood-project.eu/](https://www.ai-transpwood-project.eu/)</span>

## Available installations


|AITW-microstructures version|Supported CPU targets|Supported GPU targets|EESSI version|Module|
| --- | --- | --- | --- | --- |
|1.0.0|`generic`: `aarch64`, `x86_64`<br/><span class="software-cpu-arm">Arm</span>: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`<br/><span class="software-cpu-amd">AMD</span>: `zen2`, `zen3`, `zen4`<br/><span class="software-cpu-intel">Intel</span>: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`<br/>|*(none)*|<span class="software-eessi-version-202306">2023.06</span>|`AITW-microstructures/1.0.0-foss-2023a`|

## Extensions

Overview of extensions included in AITW-microstructures installations


### AITW-microstructures


|`AITW-microstructures` version|AITW-microstructures modules that include it|
| --- | --- |
|1.0.0|`AITW-microstructures/1.0.0-foss-2023a`|

### nptyping


|`nptyping` version|AITW-microstructures modules that include it|
| --- | --- |
|2.5.0|`AITW-microstructures/1.0.0-foss-2023a`|

### pynrrd


|`pynrrd` version|AITW-microstructures modules that include it|
| --- | --- |
|1.0.0|`AITW-microstructures/1.0.0-foss-2023a`|

### textual


|`textual` version|AITW-microstructures modules that include it|
| --- | --- |
|0.61.0|`AITW-microstructures/1.0.0-foss-2023a`|

### trogon


|`trogon` version|AITW-microstructures modules that include it|
| --- | --- |
|0.6.0|`AITW-microstructures/1.0.0-foss-2023a`|
88 changes: 27 additions & 61 deletions docs/available_software/detail/AITW-stiffness.md
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@@ -1,61 +1,27 @@
---
hide:
- toc
json_ld:
'@context': https://schema.org
'@type': SoftwareApplication
applicationCategory: DeveloperApplication
description: AI-TranspWood - Neural network surrogate model for computing macroscopic
stiffness parameters ofwood fibers from given microscopic parameters.
license: Not confirmed
name: AITW-stiffness
offers:
'@type': Offer
price: 0
operatingSystem: LINUX
review:
'@type': Review
author:
'@type': Organization
name: EESSI
reviewBody: Application has been successfully made available on all architectures
supported by EESSI
reviewRating:
'@type': Rating
ratingValue: 5
softwareRequirements: See https://www.eessi.io/docs/ for how to make EESSI available
on your system
softwareVersion: '[''AITW-stiffness/1.0.0-foss-2023a'']'
url: https://www.ai-transpwood-project.eu/
---

AITW-stiffness
==============


AI-TranspWood - Neural network surrogate model for computing macroscopic stiffness parameters ofwood fibers from given microscopic parameters.

https://www.ai-transpwood-project.eu/
# Available modules


The overview below shows which AITW-stiffness installations are available per target architecture in EESSI, ordered based on software version (new to old).

To start using AITW-stiffness, load one of these modules using a `module load` command like:

```shell
module load AITW-stiffness/1.0.0-foss-2023a
```

*(This data was automatically generated on {{ generated_time }})*

| |aarch64/generic|aarch64/a64fx|aarch64/neoverse_n1|aarch64/neoverse_v1|aarch64/nvidia/grace|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/cascadelake|x86_64/intel/haswell|x86_64/intel/icelake|x86_64/intel/sapphirerapids|x86_64/intel/skylake_avx512|
| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
|AITW-stiffness/1.0.0-foss-2023a|x|x|x|x|x|x|x|x|x|x|x|x|x|x|


### AITW-stiffness/1.0.0-foss-2023a

This is a list of extensions included in the module:

AITW-stiffness-1.0.0
# AITW-stiffness


AI-TranspWood - Neural network surrogate model for computing macroscopic stiffness parameters of
wood fibers from given microscopic parameters.


<small>homepage: </small><span class="software-link">[https://www.ai-transpwood-project.eu/](https://www.ai-transpwood-project.eu/)</span>

## Available installations


|AITW-stiffness version|Supported CPU targets|Supported GPU targets|EESSI version|Module|
| --- | --- | --- | --- | --- |
|1.0.0|`generic`: `aarch64`, `x86_64`<br/><span class="software-cpu-arm">Arm</span>: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`<br/><span class="software-cpu-amd">AMD</span>: `zen2`, `zen3`, `zen4`<br/><span class="software-cpu-intel">Intel</span>: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`<br/>|*(none)*|<span class="software-eessi-version-202306">2023.06</span>|`AITW-stiffness/1.0.0-foss-2023a`|

## Extensions

Overview of extensions included in AITW-stiffness installations


### AITW-stiffness


|`AITW-stiffness` version|AITW-stiffness modules that include it|
| --- | --- |
|1.0.0|`AITW-stiffness/1.0.0-foss-2023a`|
103 changes: 41 additions & 62 deletions docs/available_software/detail/AITW-viscosity.md
Original file line number Diff line number Diff line change
@@ -1,62 +1,41 @@
---
hide:
- toc
json_ld:
'@context': https://schema.org
'@type': SoftwareApplication
applicationCategory: DeveloperApplication
description: AI-TranspWood - AiiDA workchain to compute the shear viscosity of molecular
liquids,starting from a SMILES string of a molecule and using GROMACS to perform
the molecular dynamics simulations.
license: Not confirmed
name: AITW-viscosity
offers:
'@type': Offer
price: 0
operatingSystem: LINUX
review:
'@type': Review
author:
'@type': Organization
name: EESSI
reviewBody: Application has been successfully made available on all architectures
supported by EESSI
reviewRating:
'@type': Rating
ratingValue: 5
softwareRequirements: See https://www.eessi.io/docs/ for how to make EESSI available
on your system
softwareVersion: '[''AITW-viscosity/1.0.0-foss-2023a'']'
url: https://www.ai-transpwood-project.eu/
---

AITW-viscosity
==============


AI-TranspWood - AiiDA workchain to compute the shear viscosity of molecular liquids,starting from a SMILES string of a molecule and using GROMACS to perform the molecular dynamics simulations.

https://www.ai-transpwood-project.eu/
# Available modules


The overview below shows which AITW-viscosity installations are available per target architecture in EESSI, ordered based on software version (new to old).

To start using AITW-viscosity, load one of these modules using a `module load` command like:

```shell
module load AITW-viscosity/1.0.0-foss-2023a
```

*(This data was automatically generated on {{ generated_time }})*

| |aarch64/generic|aarch64/a64fx|aarch64/neoverse_n1|aarch64/neoverse_v1|aarch64/nvidia/grace|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/cascadelake|x86_64/intel/haswell|x86_64/intel/icelake|x86_64/intel/sapphirerapids|x86_64/intel/skylake_avx512|
| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
|AITW-viscosity/1.0.0-foss-2023a|x|x|x|x|x|x|x|x|x|x|x|x|x|x|


### AITW-viscosity/1.0.0-foss-2023a

This is a list of extensions included in the module:

AITW-viscosity-1.0.0, textual-0.61.0, trogon-0.6.0
# AITW-viscosity


AI-TranspWood - AiiDA workchain to compute the shear viscosity of molecular liquids,
starting from a SMILES string of a molecule and using GROMACS to perform the molecular dynamics simulations.


<small>homepage: </small><span class="software-link">[https://www.ai-transpwood-project.eu/](https://www.ai-transpwood-project.eu/)</span>

## Available installations


|AITW-viscosity version|Supported CPU targets|Supported GPU targets|EESSI version|Module|
| --- | --- | --- | --- | --- |
|1.0.0|`generic`: `aarch64`, `x86_64`<br/><span class="software-cpu-arm">Arm</span>: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`<br/><span class="software-cpu-amd">AMD</span>: `zen2`, `zen3`, `zen4`<br/><span class="software-cpu-intel">Intel</span>: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`<br/>|*(none)*|<span class="software-eessi-version-202306">2023.06</span>|`AITW-viscosity/1.0.0-foss-2023a`|

## Extensions

Overview of extensions included in AITW-viscosity installations


### AITW-viscosity


|`AITW-viscosity` version|AITW-viscosity modules that include it|
| --- | --- |
|1.0.0|`AITW-viscosity/1.0.0-foss-2023a`|

### textual


|`textual` version|AITW-viscosity modules that include it|
| --- | --- |
|0.61.0|`AITW-viscosity/1.0.0-foss-2023a`|

### trogon


|`trogon` version|AITW-viscosity modules that include it|
| --- | --- |
|0.6.0|`AITW-viscosity/1.0.0-foss-2023a`|
60 changes: 10 additions & 50 deletions docs/available_software/detail/ALL.md
Original file line number Diff line number Diff line change
@@ -1,56 +1,16 @@
---
hide:
- toc
json_ld:
'@context': https://schema.org
'@type': SoftwareApplication
applicationCategory: DeveloperApplication
description: "A Load Balancing Library (ALL) aims to provide an easy way to include\
\ dynamicdomain-based load balancing into particle based simulation codes. The\
\ libraryis developed in the Simulation Laboratory Molecular Systems of the J\xFC\
lichSupercomputing Centre at Forschungszentrum J\xFClich."
license: Not confirmed
name: ALL
offers:
'@type': Offer
price: 0
operatingSystem: LINUX
review:
'@type': Review
author:
'@type': Organization
name: EESSI
reviewBody: Application has been successfully made available on all architectures
supported by EESSI
reviewRating:
'@type': Rating
ratingValue: 5
softwareRequirements: See https://www.eessi.io/docs/ for how to make EESSI available
on your system
softwareVersion: '[''ALL/0.9.2-foss-2023a'']'
url: https://gitlab.jsc.fz-juelich.de/SLMS/loadbalancing
---
# ALL

ALL
===

A Load Balancing Library (ALL) aims to provide an easy way to include dynamic
domain-based load balancing into particle based simulation codes. The library
is developed in the Simulation Laboratory Molecular Systems of the Jülich
Supercomputing Centre at Forschungszentrum Jülich.

A Load Balancing Library (ALL) aims to provide an easy way to include dynamicdomain-based load balancing into particle based simulation codes. The libraryis developed in the Simulation Laboratory Molecular Systems of the JülichSupercomputing Centre at Forschungszentrum Jülich.
<small>homepage: </small><span class="software-link">[https://gitlab.jsc.fz-juelich.de/SLMS/loadbalancing](https://gitlab.jsc.fz-juelich.de/SLMS/loadbalancing)</span>

https://gitlab.jsc.fz-juelich.de/SLMS/loadbalancing
# Available modules
## Available installations


The overview below shows which ALL installations are available per target architecture in EESSI, ordered based on software version (new to old).

To start using ALL, load one of these modules using a `module load` command like:

```shell
module load ALL/0.9.2-foss-2023a
```

*(This data was automatically generated on {{ generated_time }})*

| |aarch64/generic|aarch64/a64fx|aarch64/neoverse_n1|aarch64/neoverse_v1|aarch64/nvidia/grace|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/cascadelake|x86_64/intel/haswell|x86_64/intel/icelake|x86_64/intel/sapphirerapids|x86_64/intel/skylake_avx512|
| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
|ALL/0.9.2-foss-2023a|x|x|x|x|x|x|x|x|x|x|x|x|x|x|
|ALL version|Supported CPU targets|Supported GPU targets|EESSI version|Module|
| --- | --- | --- | --- | --- |
|0.9.2|`generic`: `aarch64`, `x86_64`<br/><span class="software-cpu-arm">Arm</span>: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`<br/><span class="software-cpu-amd">AMD</span>: `zen2`, `zen3`, `zen4`<br/><span class="software-cpu-intel">Intel</span>: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`<br/>|*(none)*|<span class="software-eessi-version-202306">2023.06</span>|`ALL/0.9.2-foss-2023a`|
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