Add row 4 species Gaussian DB (WIP). #20

	name: repodata

	on:
	push:
	branches:
	- main
	pull_request:

	jobs:
	generate_repodata:
	runs-on: ubuntu-latest
	name: Generate repodata.txt on data folders

	steps:
	- name: Checkout repository
	uses: actions/checkout@v2

	- name: Update repodata.txt files
	run: \|
	# Configure Git user details
	git config --global user.email "qcdevs-bot@mail.com"
	git config --global user.name "database-bot"

	# Store current working directory
	cwd=$(pwd)

	# Update repodata.txt for each git-tracked directory not starting with '.'
	for dir in $(git ls-tree -rtd --name-only HEAD ./ \| grep -Ev '^\.'); do
	# Temporarily `cd` to ${dir} to compute checksums and git operations
	cd "${cwd}/${dir}"

	# Get sorted basenames of files not starting with '.' and not named 'repodata.txt'
	files=$(find . -maxdepth 1 -type f ! -name '.*' ! -name 'repodata.txt' -exec basename -a {} + \| sort)

	# If ${files} is non-empty, write SHA-256 checksums to 'repodata.txt' and then stage it
	if [ -n "${files}" ]; then
	sha256sum ${files} > 'repodata.txt'
	git add 'repodata.txt'
	fi
	done

	# Return to current working directory
	cd "${cwd}"

	- name: Commit repodata.txt file changes
	run: \|
	# Commit and push changes if any have been staged by `git add`
	if git diff --quiet --staged; then
	git commit -m "Update repodata.txt"
	git push origin main
	fi

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