Publish HDF Data to S3 and MDF #21

	name: Publish Make HDF Data

	on:
	release:
	types: [published]

	jobs:
	run_hdf:
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v2
	- name: Set up Python
	uses: actions/setup-python@v2
	with:
	python-version: "3.10.13"
	- name: Install dependencies
	run: pip install ase h5py pandas numpy boto3
	- name: Run HDF function
	run: \|
	cd 0_interlayer_energy/data/
	python hdf_tools.py
	- name: Upload to S3
	env:
	AWS_ENDPOINT_URL: ${{ secrets.AWS_S3_ENDPOINT }}
	AWS_S3_BUCKET: ${{ secrets.AWS_S3_BUCKET }}
	AWS_S3_BUCKET_PATH: ${{ secrets. AWS_S3_BUCKET_PATH }}
	AWS_ACCESS_KEY_ID: ${{ secrets.AWS_ACCESS_KEY_ID }}
	AWS_SECRET_ACCESS_KEY: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
	AWS_S3_USE_PATH_STYLE_ENDPOINT: true
	AWS_EC2_METADATA_DISABLED: true
	run: \|
	aws s3 cp ./0_interlayer_energy/data/qmc.hdf s3://$AWS_S3_BUCKET/$AWS_S3_BUCKET_PATH/${GITHUB_REF#refs/tags/}.hdf

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