https://github.com/pyiron/cmmc_env

Latest environment on cmti/cmmg
https://github.com/pyiron/cmmc_env

Last synced: about 1 month ago
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Latest environment on cmti/cmmg

• Host: GitHub
• URL: https://github.com/pyiron/cmmc_env
• Owner: pyiron
• License: bsd-3-clause
• Created: 2025-10-20T13:54:36.000Z (8 months ago)
• Default Branch: main
• Last Pushed: 2026-04-29T15:38:32.000Z (about 2 months ago)
• Last Synced: 2026-04-29T17:25:00.207Z (about 2 months ago)
• Language: Python
• Size: 131 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 13
• Metadata Files:
  • Readme: README.MD
  • License: LICENSE

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README

          
# Conda Environment for the CMMC cluster

This conda environment is made available on the cmmc cluster. The environment is built using a [Github Action](https://docs.github.com/en/actions). 

## Keep the environments up to date

This repository uses the [dependabot](https://github.com/dependabot) from Github, to receive automatic pull request when one of the dependencies in the `requirements.txt` file changes. 

Currently, [dependabot](https://github.com/dependabot) does not support conda `environment.yml` files itself, so the conda `environment.yml` are updated by an additional github action based on the changes due to the dependabot PR. 

When updating, adding or removing a dependency it is important to modify both the `requirements.txt` file and the `environment.yml` file. 

## Scheduled releases

There are automated releases each monday evening and on demand.

## Installation on the cluster

The installation on the cluster happens with a cron job in the night to Tuesday (3 a.m.):

- The `env-linux-x64-${DATE}.yml` file of the latest release is downloaded.

- The following dependencies are removed from the environment.yml file:

  - `_x86_64-microarch-level`

  - `libsystemd0` 

  - `libudev1`

  - `libopus`

- The environment 

  - is `mamba env create`d

  - and compiled

- The environment is exposed via a shared kernel and module files.

- The `pyiron_core` repository is cloned and installed into the environment with `pip install . --no-deps --no-build-isolation`. (The installability of pyiron_core is checked in the CI in this repository)