Update for PyPI release

.github/workflows/docs.yaml

@@ -23,7 +23,7 @@ jobs:
       - name: Install dependencies
         run: |
           python -m pip install uv==0.2.5
-          uv pip install --system -c constraints.txt -e fme[docs]
+          uv pip install --system -c constraints.txt -e .[docs]
       - name: Build docs
         run: |
           cd fme/docs && make doctest html

.github/workflows/tests.yaml

@@ -23,7 +23,7 @@ jobs:
       - name: Install dependencies
         run: |
           python -m pip install uv==0.2.5
-          uv pip install --system -c constraints.txt -e fme[dev]
+          uv pip install --system -c constraints.txt -e .[dev]
       - name: Run pytest
         run: |
           make test

Makefile

@@ -1,6 +1,7 @@
 VERSION ?= $(shell git rev-parse --short HEAD)
 IMAGE ?= fme
 ENVIRONMENT_NAME ?= fme
+DEPLOY_TARGET ?= pypi
 
 build_docker_image:
 	docker build -f docker/Dockerfile -t $(IMAGE):$(VERSION) .
@@ -12,7 +13,20 @@ enter_docker_image: build_docker_image
 create_environment:
 	conda create -n $(ENVIRONMENT_NAME) python=3.10 pip
 	conda run --no-capture-output -n $(ENVIRONMENT_NAME) python -m pip install uv==0.2.5
-	conda run --no-capture-output -n $(ENVIRONMENT_NAME) uv pip install -c constraints.txt -e fme[dev]
+	conda run --no-capture-output -n $(ENVIRONMENT_NAME) uv pip install -c constraints.txt -e .[dev]
 
 test:
 	pytest --durations 20 .
+
+# For maintainer use only
+# requires fme[deploy] to be installed
+
+build_pypi:
+	rm -rf dist
+	python -m build
+
+deploy_pypi: build_pypi
+	twine upload --repository $(DEPLOY_TARGET) dist/*
+
+deploy_test_pypi: DEPLOY_TARGET = testpypi
+deploy_test_pypi: deploy_pypi

fme/deploy-requirements.txt

@@ -0,0 +1,2 @@
+build
+twine

fme/requirements.txt

@@ -6,10 +6,10 @@ numpy<2
 wandb
 tensorly
 tensorly-torch
-xarray
+xarray>=2023.2.0
 dacite
 torch
-torch-harmonics@git+https://github.com/NVIDIA/torch-harmonics.git@8826246cacf6c37b600cdd63fde210815ba238fd
+torch-harmonics==0.6.2
 zarr
 gcsfs
 s3fs

pyproject.toml

@@ -0,0 +1,38 @@
+[build-system]
+requires = ["setuptools", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "fme"
+version = "2024.10.3"
+description = "Train and evaluate weather/climate model emulators"
+readme = "README.md"
+requires-python = ">=3.9"
+license = {file = "LICENSE"}
+authors = [
+    {name = "Ai2 Climate Modeling", email = "[email protected]"}
+]
+keywords = ["weather", "climate", "machine learning", "emulation"]
+classifiers = [
+    "Intended Audience :: Science/Research",
+    "Development Status :: 4 - Beta",
+    "License :: OSI Approved :: Apache Software License",
+    "Programming Language :: Python :: 3",
+    "Topic :: Scientific/Engineering :: Artificial Intelligence"
+]
+dynamic = ["dependencies", "optional-dependencies"]
+[project.urls]
+Homepage = "https://github.com/ai2cm/ace"
+Documentation = "https://ai2-climate-emulator.readthedocs.io/"
+
+[tool.setuptools.dynamic]
+dependencies = { file = "fme/requirements.txt" }
+optional-dependencies.dev = { file = "fme/dev-requirements.txt" }
+optional-dependencies.docs = { file = "fme/docs/requirements.txt" }
+optional-dependencies.deploy = { file = "fme/deploy-requirements.txt" }
+
+[tool.setuptools.packages.find]
+where = ["fme"]
+
+[tool.setuptools.exclude-package-data]
+fme = ["*.tests", "*.tests.*", "tests.*", "tests"]