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Overview

Check your installed version

When importing simmate and establishing a connection to the database, a warning message will be displayed if your version is not the most recent one. You can also verify this via the command-line:

simmate version

Upgrading to the Latest Version

We strongly advise installing Simmate in a fresh environment instead of updating it within your current one.

For conda users:

conda create -n my_env -c conda-forge python=3.11 simmate

For uv users:

uv venv
source .venv/bin/activate
uv pip install simmate

Ensure that the expected version is installed:

simmate version

Update your database to be compatible with the new installation:

simmate database update

Database Compatibility

Simmate's API is currently in development (v0.*.*), and database migrations are only supported within specific version ranges. The simmate database update command is effective for:

  • v0.19.0 to Latest: Fully compatible
  • v0.15.0 to v0.18.0: Compatible within this range only
  • v0.0.0 to v0.14.0: Incompatible (the update command did not exist)

Upgrading between these groups (e.g., from v0.18.0 to v0.19.0) requires simmate database reset. If you need assistance migrating data across incompatible versions, please reach out to our team.

Understanding Version Numbers

Our releases follow semantic versioning. This implies that versions (e.g., v1.2.3) correspond to MAJOR.MINOR.PATCH. Each version number increases following these changes:

  • MAJOR = incompatible API changes
  • MINOR = addition of new functionality (without API changes)
  • PATCH = bug fixes and documentation updates (without API changes)

There is one significant exception to the above rules -- MAJOR=0 releases. Any v0.x.y release is considered developmental, where APIs are subject to change and are not deemed stable.