Merge remote-tracking branch 'upstream/main' into maint/deps-in-pypro…

…ject-toml

.github/workflows/pre-commit.yml

@@ -1,4 +1,4 @@
-name: lint
+name: Linting
 
 on:
   # trigger on pushes to any branch, but not main

.github/workflows/run_tests.yml

@@ -0,0 +1,45 @@
+name: Unit Tests
+
+on:
+  # trigger on pushes to any branch, but not main
+  push:
+    branches-ignore:
+      - main
+  # and also on PRs to main
+  pull_request:
+    branches:
+      - main
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
+
+    steps:
+      - uses: actions/checkout@v3
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
+          pip install torch-geometric>=2.5.2
+      - name: Load cache data
+        uses: actions/cache/restore@v4
+        with:
+          path: data
+          key: ${{ runner.os }}-meps-reduced-example-data-v0.1.0
+          restore-keys: |
+            ${{ runner.os }}-meps-reduced-example-data-v0.1.0
+      - name: Test with pytest
+        run: |
+          pytest  -v -s
+      - name: Save cache data
+        uses: actions/cache/save@v4
+        with:
+          path: data
+          key: ${{ runner.os }}-meps-reduced-example-data-v0.1.0

.gitignore

@@ -2,12 +2,14 @@
 wandb
 slurm_log*
 saved_models
+lightning_logs
 data
 graphs
 *.sif
 sweeps
 test_*.sh
 .vscode
+*slurm*
 
 ### Python ###
 # Byte-compiled / optimized / DLL files

CHANGELOG.md

@@ -8,6 +8,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 ## [unreleased](https://github.com/joeloskarsson/neural-lam/compare/v0.1.0...HEAD)
 
 ### Added
+- Added tests for loading dataset, creating graph, and training model based on reduced MEPS dataset stored on AWS S3, along with automatic running of tests on push/PR to GitHub. Added caching of test data tp speed up running tests.
+  [/#38](https://github.com/mllam/neural-lam/pull/38)
+  @SimonKamuk
 
 - Replaced `constants.py` with `data_config.yaml` for data configuration management
   [\#31](https://github.com/joeloskarsson/neural-lam/pull/31)
@@ -27,6 +30,10 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### Changed
 
+- Robust restoration of optimizer and scheduler using `ckpt_path`
+  [\#17](https://github.com/mllam/neural-lam/pull/17)
+  @sadamov
+
 - Updated scripts and modules to use `data_config.yaml` instead of `constants.py`
   [\#31](https://github.com/joeloskarsson/neural-lam/pull/31)
   @sadamov
@@ -65,6 +72,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
   [\#29](https://github.com/mllam/neural-lam/pull/29)
   @leifdenby
 
+- change copyright formulation in license to encompass all contributors
+  [\#47](https://github.com/mllam/neural-lam/pull/47)
+  @joeloskarsson
 
 ## [v0.1.0](https://github.com/joeloskarsson/neural-lam/releases/tag/v0.1.0)
 

LICENSE.txt

@@ -1,6 +1,6 @@
 MIT License
 
-Copyright (c) 2023 Joel Oskarsson, Tomas Landelius
+Copyright (c) 2023 Neural-LAM Contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

README.md

@@ -1,3 +1,6 @@
+![Linting](https://github.com/mllam/neural-lam/actions/workflows/pre-commit.yml/badge.svg)
+![Automatic tests](https://github.com/mllam/neural-lam/actions/workflows/run_tests.yml/badge.svg)
+
 <p align="middle">
     <img src="figures/neural_lam_header.png" width="700">
 </p>
@@ -279,6 +282,8 @@ pre-commit run --all-files
 ```
 from the root directory of the repository.
 
+Furthermore, all tests in the ```tests``` directory will be run upon pushing changes by a github action. Failure in any of the tests will also reject the push/PR.
+
 # Contact
 If you are interested in machine learning models for LAM, have questions about our implementation or ideas for extending it, feel free to get in touch.
 You can open a github issue on this page, or (if more suitable) send an email to [[email protected]](mailto:[email protected]).

create_mesh.py

@@ -153,7 +153,7 @@ def prepend_node_index(graph, new_index):
     return networkx.relabel_nodes(graph, to_mapping, copy=True)
 
 
-def main():
+def main(input_args=None):
     parser = ArgumentParser(description="Graph generation arguments")
     parser.add_argument(
         "--data_config",
@@ -186,7 +186,7 @@ def main():
         default=0,
         help="Generate hierarchical mesh graph (default: 0, no)",
     )
-    args = parser.parse_args()
+    args = parser.parse_args(input_args)
 
     # Load grid positions
     config_loader = config.Config.from_file(args.data_config)