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2 changes: 1 addition & 1 deletion docs/available_software/data/json_data.json
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2 changes: 1 addition & 1 deletion docs/available_software/data/json_data_detail.json
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2 changes: 1 addition & 1 deletion docs/available_software/detail/ALL.md
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Expand Up @@ -21,7 +21,7 @@ To start using ALL, load one of these modules using a `module load` command like
module load ALL/0.9.2-foss-2023a
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/AOFlagger.md
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Expand Up @@ -21,7 +21,7 @@ To start using AOFlagger, load one of these modules using a `module load` comman
module load AOFlagger/3.4.0-foss-2023b
```

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35 changes: 35 additions & 0 deletions docs/available_software/detail/ASE.md
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---
hide:
- toc
---

ASE
===


ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language.From version 3.20.1 we also include the ase-ext package, it contains optional reimplementationsin C of functions in ASE. ASE uses it automatically when installed.

https://wiki.fysik.dtu.dk/ase
# Available modules


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

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

```shell
module load ASE/3.22.1-gfbf-2022b
```

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### ASE/3.22.1-gfbf-2022b

This is a list of extensions included in the module:

ase-3.22.1, ase-ext-20.9.0, pytest-mock-3.8.2
2 changes: 1 addition & 1 deletion docs/available_software/detail/ATK.md
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Expand Up @@ -21,7 +21,7 @@ To start using ATK, load one of these modules using a `module load` command like
module load ATK/2.38.0-GCCcore-12.3.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Abseil.md
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Expand Up @@ -21,7 +21,7 @@ To start using Abseil, load one of these modules using a `module load` command l
module load Abseil/20230125.3-GCCcore-12.3.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Armadillo.md
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Expand Up @@ -21,7 +21,7 @@ To start using Armadillo, load one of these modules using a `module load` comman
module load Armadillo/12.8.0-foss-2023b
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Arrow.md
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Expand Up @@ -21,7 +21,7 @@ To start using Arrow, load one of these modules using a `module load` command li
module load Arrow/14.0.1-gfbf-2023a
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/BLIS.md
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Expand Up @@ -21,7 +21,7 @@ To start using BLIS, load one of these modules using a `module load` command lik
module load BLIS/0.9.0-GCC-13.2.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/BWA.md
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Expand Up @@ -21,7 +21,7 @@ To start using BWA, load one of these modules using a `module load` command like
module load BWA/0.7.17-20220923-GCCcore-12.3.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Bazel.md
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Expand Up @@ -21,7 +21,7 @@ To start using Bazel, load one of these modules using a `module load` command li
module load Bazel/6.3.1-GCCcore-12.3.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/BeautifulSoup.md
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Expand Up @@ -21,7 +21,7 @@ To start using BeautifulSoup, load one of these modules using a `module load` co
module load BeautifulSoup/4.12.2-GCCcore-12.3.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Biopython.md
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Expand Up @@ -21,7 +21,7 @@ To start using Biopython, load one of these modules using a `module load` comman
module load Biopython/1.83-foss-2023a
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Bison.md
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Expand Up @@ -21,7 +21,7 @@ To start using Bison, load one of these modules using a `module load` command li
module load Bison/3.8.2-GCCcore-13.2.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Boost.MPI.md
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Expand Up @@ -21,7 +21,7 @@ To start using Boost.MPI, load one of these modules using a `module load` comman
module load Boost.MPI/1.82.0-gompi-2023a
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Boost.Python.md
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Expand Up @@ -21,7 +21,7 @@ To start using Boost.Python, load one of these modules using a `module load` com
module load Boost.Python/1.83.0-GCC-13.2.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Boost.md
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Expand Up @@ -21,7 +21,7 @@ To start using Boost, load one of these modules using a `module load` command li
module load Boost/1.83.0-GCC-13.2.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Brotli.md
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Expand Up @@ -21,7 +21,7 @@ To start using Brotli, load one of these modules using a `module load` command l
module load Brotli/1.1.0-GCCcore-13.2.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/Brunsli.md
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Expand Up @@ -21,7 +21,7 @@ To start using Brunsli, load one of these modules using a `module load` command
module load Brunsli/0.1-GCCcore-12.3.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/CDO.md
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Expand Up @@ -21,7 +21,7 @@ To start using CDO, load one of these modules using a `module load` command like
module load CDO/2.2.2-gompi-2023b
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/CFITSIO.md
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Expand Up @@ -21,7 +21,7 @@ To start using CFITSIO, load one of these modules using a `module load` command
module load CFITSIO/4.3.1-GCCcore-13.2.0
```

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Expand Up @@ -21,7 +21,7 @@ To start using CGAL, load one of these modules using a `module load` command lik
module load CGAL/5.6-GCCcore-12.3.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/CMake.md
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Expand Up @@ -21,7 +21,7 @@ To start using CMake, load one of these modules using a `module load` command li
module load CMake/3.27.6-GCCcore-13.2.0
```

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Expand Up @@ -21,7 +21,7 @@ To start using CUDA-Samples, load one of these modules using a `module load` com
module load CUDA-Samples/12.1-GCC-12.3.0-CUDA-12.1.1
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/CUDA.md
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module load CUDA/12.1.1
```

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Expand Up @@ -21,7 +21,7 @@ To start using Catch2, load one of these modules using a `module load` command l
module load Catch2/2.13.9-GCCcore-13.2.0
```

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Expand Up @@ -21,7 +21,7 @@ To start using Cbc, load one of these modules using a `module load` command like
module load Cbc/2.10.11-foss-2023a
```

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module load Cgl/0.60.8-foss-2023a
```

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module load Clp/1.17.9-foss-2023a
```

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Expand Up @@ -21,7 +21,7 @@ To start using CoinUtils, load one of these modules using a `module load` comman
module load CoinUtils/2.11.10-GCC-12.3.0
```

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2 changes: 1 addition & 1 deletion docs/available_software/detail/DB.md
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Expand Up @@ -21,7 +21,7 @@ To start using DB, load one of these modules using a `module load` command like:
module load DB/18.1.40-GCCcore-12.2.0
```

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*(This data was automatically generated on Thu, 06 Jun 2024 at 08:44:47 UTC)*

| |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
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2 changes: 1 addition & 1 deletion docs/available_software/detail/DP3.md
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Expand Up @@ -21,7 +21,7 @@ To start using DP3, load one of these modules using a `module load` command like
module load DP3/6.0-foss-2023b
```

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*(This data was automatically generated on Thu, 06 Jun 2024 at 08:44:47 UTC)*

| |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
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2 changes: 1 addition & 1 deletion docs/available_software/detail/Doxygen.md
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Expand Up @@ -21,7 +21,7 @@ To start using Doxygen, load one of these modules using a `module load` command
module load Doxygen/1.9.8-GCCcore-13.2.0
```

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*(This data was automatically generated on Thu, 06 Jun 2024 at 08:44:47 UTC)*

| |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
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2 changes: 1 addition & 1 deletion docs/available_software/detail/EESSI-extend.md
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Expand Up @@ -21,7 +21,7 @@ To start using EESSI-extend, load one of these modules using a `module load` com
module load EESSI-extend/2023.06-easybuild
```

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*(This data was automatically generated on Thu, 06 Jun 2024 at 08:44:47 UTC)*

| |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
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2 changes: 1 addition & 1 deletion docs/available_software/detail/ELPA.md
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Expand Up @@ -21,7 +21,7 @@ To start using ELPA, load one of these modules using a `module load` command lik
module load ELPA/2023.05.001-foss-2023a
```

*(This data was automatically generated on Thu, 06 Jun 2024 at 06:28:56 UTC)*
*(This data was automatically generated on Thu, 06 Jun 2024 at 08:44:47 UTC)*

| |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
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2 changes: 1 addition & 1 deletion docs/available_software/detail/ESPResSo.md
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Expand Up @@ -21,7 +21,7 @@ To start using ESPResSo, load one of these modules using a `module load` command
module load ESPResSo/4.2.2-foss-2023a
```

*(This data was automatically generated on Thu, 06 Jun 2024 at 06:28:56 UTC)*
*(This data was automatically generated on Thu, 06 Jun 2024 at 08:44:47 UTC)*

| |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
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2 changes: 1 addition & 1 deletion docs/available_software/detail/EasyBuild.md
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Expand Up @@ -21,7 +21,7 @@ To start using EasyBuild, load one of these modules using a `module load` comman
module load EasyBuild/4.9.1
```

*(This data was automatically generated on Thu, 06 Jun 2024 at 06:28:56 UTC)*
*(This data was automatically generated on Thu, 06 Jun 2024 at 08:44:47 UTC)*

| |aarch64/generic|aarch64/neoverse_n1|aarch64/neoverse_v1|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/intel/haswell|x86_64/intel/skylake_avx512|
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