chore(main): release 1.0.0

[github-actions]

🤖 I have created a release beep boop

1.0.0 (2025-11-17)

Features

• added conda env for histograms (53de051)
• added conda specs to some rules (c3e6317)
• added sample config for the Mogon NHR cluster (e30a5de)
• first CI parts - still without testing (9aad9d5)
• stabilizing ZINC download (1b91529)
• supporting conda provisioned VinaLC (a29c637)

Bug Fixes

• added missing empty line (bc5c773)
• added versioning info (ae1409d)
• corrected log file name to contain all wildcards (ad93149)
• enforce formatting (60f464b)
• formatting (8c5081a)
• formatting (8df159a)
• formatting (37a62ac)
• formatting - not logical (88d4316)
• formatting ... again (0a96d7c)
• formatting and stabelized (0c46ed2)
• got rid of hard coded path (a7d1e28)
• got rid of hard coded paths (d6b608d)
• got rid of hard coded paths (888854c)
• got rid of hard coded paths - add log directives (068fa9a)
• got rid of hard coded paths - and stable ZINC access (2d47703)
• header of the README file (d69c427)
• merge conflict (8322fe0)
• merge conflict (39a1f6b)
• merge conflict (21220e9)
• removed resource definition from config (b9291d3)
• reverting last change (2ff4037)
• working profile (be91b70)

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