automate version bumping

README.md

@@ -183,6 +183,10 @@ source $PATH_TO_LAGRANGEBENCH_VENV/bin/activate
 # install pre-commit hooks defined in .pre-commit-config.yaml
 # ruff is configured in pyproject.toml
 pre-commit install
+
+# if you want to bump the version in both pyproject.toml and __init__.py, do
+poetry self add poetry-bumpversion
+poetry version patch  # or minor/major
 ```
 
 After you have run `git add <FILE>` and try to `git commit`, the pre-commit hook will
@@ -201,6 +205,7 @@ LagrangeBench can be installed by cloning the repository or as a standalone libr
 - Configs in `configs/` and `lagrangebench/defaults.py`
 - Zenodo URLs in `download_data.sh` and `lagrangebench/data/data.py`
 - Dependencies in `pyproject.toml`, `requirements_cuda.txt`, and `docs/requirements.txt`
+- Library version in `pyproject.toml` and `lagrangebench/__init__.py`
 
 
 ## Citation

pyproject.toml

@@ -55,7 +55,6 @@ matscipy = "^0.8.0"
 torch = {version = "2.1.0+cpu", source = "torchcpu"}
 wget = "^3.2"
 omegaconf = "^2.3.0"
-toml = "^0.10.2"
 
 [tool.poetry.group.dev.dependencies]
 # mypy = ">=1.8.0" - consider in the future
@@ -106,6 +105,7 @@ filterwarnings = [
     "ignore::DeprecationWarning:^(?!.*lagrangebench).*"
 ]
 
+[tool.poetry_bumpversion.file."lagrangebench/__init__.py"]
 [build-system]
 requires = ["poetry-core"]
 build-backend = "poetry.core.masonry.api"

requirements_cuda.txt

@@ -16,7 +16,6 @@ optax>=0.1.7
 ott-jax>=0.4.2
 pyvista
 PyYAML
-toml>=0.10.2
 torch==2.1.0+cpu
 wandb
 wget