fix: updated conda environments

[DonatWulf]

For me conda did not install all dependencies automatically. I installed the environment manually and exported the environment.

[m-jahn]

Dear Donat, thanks for your contribution by submitting this PR. However I will not merge it for the following reasons:

• a lot of new packages were pinned with version. While this makes the environment more defined, it has the downside of being more inflexible and almost impossible to maintain; if one package version needs to be updated a lot of other dependencies might need version updates too
• the complexity of this env definition is IMHO too high; I rather want to pin the most important package versions, the downstream dependencies should then be pulled by conda automatically with certain flexibility of available packages
• having that many pinned packages makes it very likely that the workflow breaks just when one of it becomes unavailable (due to channel updates, package turnover)
• I know that this will not fix the error on your side -- in that case I recommend singularity + conda
• is it possible to track the conda error to one particular dependency?