Generate initial datasets

Artifacts.toml

@@ -0,0 +1,87 @@
+[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

@@ -43,6 +43,10 @@ Pull requests are the best way to propose changes to the codebase.
 We actively welcome your pull requests:
 
 1. Fork the repo and create your branch from `main`.
+    ```shell
+    # clone the repo, remember to replace the username with your own username
+    git clone [email protected]:datasets/atomology/WannierDatasets
+    ```
 2. Add dataset(s), ideally small (in terms of file size) but still gives
     physical results. The `prefix` of the files (i.e. `prefix.amn`/`prefix.mmn`)
     should be the same as the folder name, to allow easy loading of the dataset

make_artifacts.jl

@@ -8,12 +8,15 @@
 # Artifacts docs:
 # https://pkgdocs.julialang.org/v1/artifacts/
 #
+using Pkg
+Pkg.instantiate()
+
 using Tar, Inflate, SHA, TOML
 using Dates: unix2datetime
 
 const artifacts_dir = joinpath(@__DIR__, "artifacts")
 const datasets_dir = joinpath(@__DIR__, "datasets")
-const deploy_branch  = "artifacts"
+const deploy_branch = "artifacts"
 
 """
 folder: e.g. `"Si2"`
@@ -68,7 +71,7 @@ function create_artifact(folder::AbstractString; local_url::Bool=false)
         url = "file://$(outpath)"
     else
         # use huggingface `artifacts` branch to host the artifacts
-        url = "https://huggingface.co/datasets/atomology/WannierDatasets/blob/artifacts/$(tar_name)"
+        url = "https://huggingface.co/datasets/atomology/WannierDatasets/resolve/artifacts/$(tar_name)"
     end
 
     artifact_name = folder
@@ -99,6 +102,11 @@ function git_date(githash::AbstractString)
 end
 
 function list_previous_artifacts()
+    # if this command fails with the error
+    # `fatal: Not a valid object name artifacts`
+    # you need to run at least once
+    # `git checkout artifacts`
+    # to create the artifacts branch
     files = split(read(`git ls-tree -r --name-only $deploy_branch`, String))
     filter!(f -> endswith(f, ".tar.gz"), files)
     return Dict(f => git_hash(f; deploy_branch) for f in files)
@@ -127,11 +135,19 @@ function list_new_folders()
 end
 
 function upload_artifacts(names::AbstractVector)
-    paths = map(names) do name
-        joinpath(artifacts_dir, "$(name).tar.gz")
-    end
-    println("huggingface-cli upload --repo-type dataset --revision $deploy_branch atomology/WannierDatasets \\")
-    println(join(paths, " \\\n"))
+    files = join(["$(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()
@@ -141,7 +157,7 @@ function clean_artifacts_dir()
         println("Aborting...")
         return false
     end
-    rm(artifacts_dir; force=true, recurive=true)
+    rm(artifacts_dir; force=true, recursive=true)
     mkpath(artifacts_dir)
     println("Cleaned `$(artifacts_dir)` folder.")
     return true
@@ -152,12 +168,12 @@ function (@main)(args)
     if isfile(toml_path)
         artifacts = TOML.parsefile(toml_path)
     else
-        artifacts = Dict{String, Any}()
+        artifacts = Dict{String,Any}()
     end
 
     new_folders = list_new_folders()
 
-    if length(args) > 0 && args[1] != "dryrun"
+    if !("dryrun" in args)
         clean_artifacts_dir() || return
 
         for folder in new_folders