Skip to content
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 1 addition & 1 deletion docs/available_software/data/json_data.json

Large diffs are not rendered by default.

2 changes: 1 addition & 1 deletion docs/available_software/data/json_data_detail.json

Large diffs are not rendered by default.

63 changes: 63 additions & 0 deletions docs/available_software/detail/VeloxChem.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,63 @@
---
hide:
- toc
json_ld:
'@context': https://schema.org
'@type': SoftwareApplication
applicationCategory: DeveloperApplication
description: VeloxChem [RLV+20] is a Python-based open source quantum chemistry
software forcontemporary and future hardware architectures. It features interactive
program access throughJupyter notebooks as well as massively parallel calculations
in high-performancecomputing (HPC) environments.
license: Not confirmed
name: VeloxChem
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: '[''VeloxChem/1.0-rc4-foss-2023a'']'
url: https://veloxchem.org/docs/intro.html
---

VeloxChem
=========


VeloxChem [RLV+20] is a Python-based open source quantum chemistry software forcontemporary and future hardware architectures. It features interactive program access throughJupyter notebooks as well as massively parallel calculations in high-performancecomputing (HPC) environments.

https://veloxchem.org/docs/intro.html
# Available modules


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

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

```shell
module load VeloxChem/1.0-rc4-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|
| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
|VeloxChem/1.0-rc4-foss-2023a|x|x|x|x|x|x|x|x|x|x|x|x|x|x|


### VeloxChem/1.0-rc4-foss-2023a

This is a list of extensions included in the module:

geometric-1.1, VeloxChem-1.0-rc4
2 changes: 1 addition & 1 deletion mkdocs.yml
Original file line number Diff line number Diff line change
Expand Up @@ -177,7 +177,7 @@ 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, 12 Dec 2025 at 02:03:46 UTC"
generated_time: "Fri, 12 Dec 2025 at 12:57:45 UTC"
slack_invite_url: "https://join.slack.com/t/eessi-hpc/shared_invite/zt-1wqy0t8g6-PZJTg3Hjjm5Fm3XEOkzECg"
extra_javascript:
# mermaid diagram
Expand Down