Clean up release process

.bumpversion.toml

@@ -0,0 +1,7 @@
+[tool.bumpversion]
+current_version = "0.0.0"
+tag = true
+allow_dirty = true
+commit = true
+pre_commit_hooks = []
+post_commit_hooks = []

.gitignore

@@ -26,6 +26,7 @@ Manifest.toml
 # Do not commit large (and redundant) tar.gz files, instead, I upload them
 # to the `artifacts` branch
 artifacts/*.tar.gz
+Artifacts.toml
 
 # vscode
 .vscode

Artifacts.toml

@@ -1,87 +0,0 @@
-[Cu]
-git-tree-sha1 = "7a62b6fd9cf0b8414d402bf5109ab1e4e3770812"
-lazy = true
-
-    [[Cu.download]]
-    sha256 = "1a140584aab78b59171bb75c4d4e741646a0e7162dd50577f771f3287fc62128"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/Cu.tar.gz"
-
-[Si2_valence]
-git-tree-sha1 = "69abcb33e42a08354b68dae0c4ced116b6234d70"
-lazy = true
-
-    [[Si2_valence.download]]
-    sha256 = "ed279ed6d3f6fbd7d953633d0574230d3d405eefc6798a59e587fa8ebe175446"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/Si2_valence.tar.gz"
-
-[CrI3]
-git-tree-sha1 = "888fc3a5816e746cf3b7ddd2c469b89ae0f7e7da"
-lazy = true
-
-    [[CrI3.download]]
-    sha256 = "5f24343dd393117213a329f8f850e3e967b91634ea1f6723cc5a3c1a1a55be2b"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/CrI3.tar.gz"
-
-[MoS2]
-git-tree-sha1 = "2b36703f7e686b5b3e40bcdbd86688e80be4a4d6"
-lazy = true
-
-    [[MoS2.download]]
-    sha256 = "37127125dbf63455034bf918186b4bbe87d8b6739d4fd217f05e060b54aa9fc1"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/MoS2.tar.gz"
-
-[BN]
-git-tree-sha1 = "5c6644b683c4783271d99973e21156daa2075bac"
-lazy = true
-
-    [[BN.download]]
-    sha256 = "af312e7f4e5b75765abd669934660e13048cf9cc402b105416a449a35290d55e"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/BN.tar.gz"
-
-[SnSe2]
-git-tree-sha1 = "b45310314ba59112420850678fa416fcbbd7aa6a"
-lazy = true
-
-    [[SnSe2.download]]
-    sha256 = "8ed6355a0746a7b69e48080abc60e5beda324591b46ef5f3e5325407d1917d38"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/SnSe2.tar.gz"
-
-[Fe_collinear]
-git-tree-sha1 = "7491f2d773a5f682f83cf46120ae3ef8430c0f99"
-lazy = true
-
-    [[Fe_collinear.download]]
-    sha256 = "176e34a5a5786fdcc12175444bde251a320150ddf5f4040fb91d2bfc5ac94f65"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/Fe_collinear.tar.gz"
-
-[Fe_soc]
-git-tree-sha1 = "61ccd2c018e0934c3541b85c32a8bd0ee957e2d7"
-lazy = true
-
-    [[Fe_soc.download]]
-    sha256 = "7effe3c3827c23571d970e69db4499a068e1bbdce3ae18be10532e7d21bd9e1c"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/Fe_soc.tar.gz"
-
-[graphene]
-git-tree-sha1 = "600f801c60eba4eb34c7d6396de079a597bc29cc"
-lazy = true
-
-    [[graphene.download]]
-    sha256 = "b9f399a3875fa1cff5dc95437c863b4b1090d3658e48be6724a54cbffb3175a2"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/graphene.tar.gz"
-
-[CuBr2]
-git-tree-sha1 = "1cb8c060dd58a341f243216ba96932660f7310d4"
-lazy = true
-
-    [[CuBr2.download]]
-    sha256 = "7d305aea2ddfbb6e7d9036e6110c4e7272e5ba90544532681d622cf2fdb1aaa0"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/CuBr2.tar.gz"
-
-[Si2]
-git-tree-sha1 = "1459f891f478ff64c3d1296c634ad441611778b2"
-lazy = true
-
-    [[Si2.download]]
-    sha256 = "0dcdd64a0955a88258dd839687469449e9c5aae9a5c20335fb3cec840dba917a"
-    url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/Si2.tar.gz"

docs/CONTRIBUTING.md

@@ -61,14 +61,4 @@ We actively welcome your pull requests:
 
 ## Release process
 
-```shell
-# make tarballs
-./make_artifacts.jl
-
-# upload tarballs to huggingface `artifacts` branch, see the output of `make_artifacts.jl`
-huggingface-cli upload # ...
-
-# auto bump the version & create git tag with release-it
-# https://github.com/release-it/release-it
-release-it --no-push
-```
+See [`../release.sh`](../release.sh).

make_artifacts.jl

@@ -134,22 +134,6 @@ function list_new_folders()
     return new_folders
 end
 
-function upload_artifacts(names::AbstractVector)
-    files = join(["$(n).tar.gz" for n in names], "\n")
-    println("\n\n# $(length(names)) Files to be uploaded to huggingface")
-
-    commit_msg = "Upload artifacts v1.1.0"
-    commit_desc = files
-    println()
-    println("huggingface-cli upload " *
-            "atomology/WannierDatasets $artifacts_dir . " *
-            "--repo-type dataset " *
-            "--revision $deploy_branch " *
-            "--include \"*.tar.gz\" " *
-            "--commit-message \"$commit_msg\" " *
-            "--commit-description \"$commit_desc\"")
-end
-
 function clean_artifacts_dir()
     print("I will clean the `$(artifacts_dir)` folder [y/N]: ")
     n = readline()
@@ -186,6 +170,4 @@ function (@main)(args)
             TOML.print(io, artifacts)
         end
     end
-
-    upload_artifacts(new_folders)
 end

release.sh

@@ -0,0 +1,65 @@
+#!/bin/bash
+# This script automates the process of releasing a new version of the dataset.
+# Usage: ./release.sh <major|minor|patch>
+set -e
+
+# 1. Make sure you have git commit all the changes
+if test -n "$(git status --porcelain)"; then
+    echo "Please commit all changes before running this script."
+    exit 1
+fi
+# and the git branch should be `main`
+if [[ $(git branch --show-current) != "main" ]]; then
+    echo "Please run this script on the main branch."
+    exit 1
+fi
+
+# 2. Decide the next version number--which component to bump?
+if [ -z "$1" ]; then
+    echo "Please provide the version component to bump (major, minor, patch)."
+    exit 2
+fi
+if [ "$1" != "major" ] && [ "$1" != "minor" ] && [ "$1" != "patch" ]; then
+    echo "Invalid version component. Use major, minor, or patch."
+    exit 2
+fi
+C=$1
+OLD_VERSION=`bump-my-version show current_version`
+NEW_VERSION=`bump-my-version show new_version --increment $C`
+# bump-my-version bump --dry-run -v $C
+echo -n "Bumping version $C, $OLD_VERSION → $NEW_VERSION. Are you sure? (y/N) "
+read -r answer
+if [[ ! $answer =~ ^[Yy]$ ]]; then
+    echo "Aborting."
+    exit 3
+fi
+
+# 3. Git fetch to make sure the `artifacts` branch is up to date
+DEPLOY_BRANCH=artifacts
+git fetch origin $DEPLOY_BRANCH:$DEPLOY_BRANCH
+# Then make tarballs, which will compare against the `artifacts` branch
+# and create tarballs only for the new/changed datasets
+./make_artifacts.jl
+mv Artifacts.toml artifacts/
+
+# 4. Auto bump the version & create git tag with bump-my-version
+# https://github.com/callowayproject/bump-my-version
+bump-my-version bump $C
+
+# 5. Upload tarballs to huggingface `artifacts` branch
+ARTIFACTS_DIR=artifacts
+COMMIT_MSG="Update artifacts v$OLD_VERSION → v$NEW_VERSION"
+# list of tarballs
+COMMIT_DESC=`find "$ARTIFACTS_DIR" -type f -exec basename {} \;`
+huggingface-cli upload \
+    atomology/WannierDatasets $ARTIFACTS_DIR . \
+    --repo-type dataset \
+    --revision $DEPLOY_BRANCH \
+    --include "*" \
+    --commit-message "$COMMIT_MSG" \
+    --commit-description "$COMMIT_DESC"
+
+# 6. Check results
+echo "Upload complete. Checking results at"
+echo "https://huggingface.co/datasets/atomology/WannierDatasets/tree/$DEPLOY_BRANCH"
+echo "https://huggingface.co/datasets/atomology/WannierDatasets/main/Artifacts.toml"