DiBB Overhaul

[rolshoven]

This PR includes the following changes:

• Minor bugfixes
• Replaced pipenv with uv
• Adapted code and tests to work with current dependencies

[giuse]

Thanks for bringing DiBB up to speed! I really like this. There's one file that should not be committed (and added to .gitignore), and one stylistic change I would rather roll back (switching all python strings to double quotes, I use single quotes to distinguish symbols, which are otherwise missing from python), otherwise all good and very happy with this! :)

[rolshoven]

@giuse I addressed your comments and changed three additional things:

1. There was an assertion message that used the wrong variable:

index e90cb84..d8085b7 100644
@@ -118,7 +118,7 @@ class DiBB:
 
         assert sum(self.block_sizes) == self.ndims, (
             "Sum of block sizes must sum up to number of dimensions "
-            + f"(tried {len(self.blocks)} blocks totaling {sum(self.blocks)} "
+            + f"(tried {len(self.block_sizes)} blocks totaling {sum(self.block_sizes)} "
             + f"dimensions with {self.ndims} parameters)"
         )

2. I noticed that in "local DiBB mode", the "NodeManagerAddress" that ray saves in its ray.nodes attribute is not always 127.0.0.1, which led to error on the SLURM node that I used. Therefore, I removed this check. I think that it is not important anyway what the IP of the node is if we only have one node.

index d8085b7..8315e42 100644
@@ -143,9 +143,6 @@ class DiBB:
            ip_addresses = [node["NodeManagerAddress"] for node in ray.nodes()]
            if len(ip_addresses) == 1:
                # Local mode
-                assert ip_addresses[0] == "127.0.0.1", (
-                    "Unexpected error: Running on a single machine which is not 127.0.0.1"
-                )

3. I added a custom representation for the block workers in the Ray logs:

index c3ec867..6c4b727 100644
@@ -320,6 +320,10 @@ class BlockWorker:
             if self.verbose:
                 print(f"Resuming block {self.block_id}")
         return done
+    
+    def __repr__(self):
+        """Customized prefix for Ray actor logs"""
+        return f"BlockWorker [block_id={self.block_id}]"

Can you have a look at the PR again and give further feedback if needed?

[giuse]

Great work, thank you so much @rolshoven ! :)