🚀 Release v0.2.0

.github/workflows/cd.yml

@@ -32,15 +32,18 @@ jobs:
 
         steps:
         -   name: Checkout source
-            uses: actions/checkout@v2
+            uses: actions/checkout@v3
 
         -   name: Set up Python 3.11
-            uses: actions/setup-python@v2
+            uses: actions/setup-python@v4
             with:
                 python-version: '3.11'
 
         -   name: Install flit
-            run: pip install flit~=3.8
+            run: pip install --upgrade flit
 
         -   name: Build and publish
             run: flit publish
+            env:
+                FLIT_USERNAME: __token__
+                FLIT_PASSWORD: ${{ secrets.PYPI_TOKEN }}

CHANGELOG.md

@@ -0,0 +1,45 @@
+## v0.2.0
+
+### ‼️ Breaking changes
+
+* ‼️ Prioritize the `order_by` approach to sorting submissions [[201cdac](https://github.com/aiidateam/aiida-submission-controller/commit/201cdac39d32c8a9a70845c929ba6e82664471f5)]
+* ‼️ Redesign controllers as `pydantic` `BaseModel`s [[a3b1d33](https://github.com/aiidateam/aiida-submission-controller/commit/a3b1d33f3304940e23ff0eef394e6d5d1c433882)]
+
+### ✨ New features
+
+* Add optional delay between submissions [[ffafbf5](https://github.com/aiidateam/aiida-submission-controller/commit/ffafbf5bef6524ad427a2bb023dbc43119963c37)]
+* ✨ Add the `order_by` field to the `FromGroupSubmissionController` [[ab943f6](https://github.com/aiidateam/aiida-submission-controller/commit/ab943f670b90f1937e5df34d976aecba8f238842)]
+* ✨ Print a table with the status when submitting [[a53f0c5](https://github.com/aiidateam/aiida-submission-controller/commit/a53f0c5364a40e38a02f5bfc0079bcc5b499dbe5)]
+* ✨ `FromGroupSubmissionController`: Add `filters` [[76eb0b0](https://github.com/aiidateam/aiida-submission-controller/commit/76eb0b006d00ac9a262467dce7016095593bfe03)]
+
+### 👌 Improvements
+
+* 👌 Catch all `Exception`s during submission loop [[8dcea88](https://github.com/aiidateam/aiida-submission-controller/commit/8dcea88e11f76c62ddd315c58f499ea0a0e61051)]
+* 👌 Always submit number of requested processes [[b910171](https://github.com/aiidateam/aiida-submission-controller/commit/b910171c70be9c7368f452658621f07f66e2cfad)]
+* 👌 Update `.gitignore` [[1ee409a](https://github.com/aiidateam/aiida-submission-controller/commit/1ee409a2ab05a17213c7ddf4e8ea28af6126343b)]
+* 👌 Make `unique_extra_keys` a `pydantic` field [[6662ac8](https://github.com/aiidateam/aiida-submission-controller/commit/6662ac86be8a99051f864ecf930d79ce88f879f5)]
+* 👌 IMPROVE: Catch and log submissions [[6b915bd](https://github.com/aiidateam/aiida-submission-controller/commit/6b915bdc3452cc8ebb36974b883e7891d94d3541)]
+
+### 🐛 Bug fixes
+
+* Fix number of submitted `WorkChain`s [[ce9b6f6](https://github.com/aiidateam/aiida-submission-controller/commit/ce9b6f6917b66d31b0593e287758996ef896342f)]
+* Fix `submit_new_batch` when `verbose = True` [[d944b42](https://github.com/aiidateam/aiida-submission-controller/commit/d944b42695288dfa7e86d2830c725a54a3383b52)]
+* 🐛 Make `unique_extra_keys` field properly optional [[d811858](https://github.com/aiidateam/aiida-submission-controller/commit/d811858a1417a00f0bac45a35061d672722983db)]
+* 🐛 Fix `dry_run` in `BaseSubmissionController` [[f83a7f9](https://github.com/aiidateam/aiida-submission-controller/commit/f83a7f9eebd48ec513af7ba8b4c19ad15d9e4894)]
+* 🐛 Allow specifying nested extras [[fcfd545](https://github.com/aiidateam/aiida-submission-controller/commit/fcfd545c56ba4fea6d2607ff6b3e053180934017)]
+
+### 📚 Documentation
+
+* 📚 Update `add_in_batches` example [[f3f6dac](https://github.com/aiidateam/aiida-submission-controller/commit/f3f6dac9803561ff3509561fc980d1b79d0f4e09)]
+* 📚 Update `PwBaseWorkChain` example [[da769d0](https://github.com/aiidateam/aiida-submission-controller/commit/da769d047bcd64aeb447e30fd5c410848f9fbc68)]
+
+### 🔧 Maintenance
+
+* Remove language version for black pre-commit hook [[f80d29b](https://github.com/aiidateam/aiida-submission-controller/commit/f80d29bbe058683dc784fd56918fa5f64c665b3d)]
+* 🔧 Devops: Add `update_changelog.py` script [[cf9d6f0](https://github.com/aiidateam/aiida-submission-controller/commit/cf9d6f0eb02091081758db215c5282c22445edc9)]
+* 🔧 Devops: Add CD GitHub Action [[7696919](https://github.com/aiidateam/aiida-submission-controller/commit/76969192f9fd6a392901d638e6436f825865c9bc)]
+* 🔧 Switch from `pylint` to `ruff` [[98771d9](https://github.com/aiidateam/aiida-submission-controller/commit/98771d95c67bf4e39d3627ddc8053647add6fd3a)]
+* 🔧 Switch to using `black` [[7d31f2e](https://github.com/aiidateam/aiida-submission-controller/commit/7d31f2ead9b7bf57e9f93dd981d2fd9ef99d9b88)]
+* 🔧 Add `isort` to `pre-commit` hooks [[b35338b](https://github.com/aiidateam/aiida-submission-controller/commit/b35338b42d5174f358980c6fb72dbea2e53d03d4)]
+* 🔧 MAINTAIN: Remove `.pylintrc` and fix linting [[8eef381](https://github.com/aiidateam/aiida-submission-controller/commit/8eef38136f068a0b385d5e162b85333876a425ed)]
+* 🔧 MAINTAIN: Switch to `pyproject.toml` [[fad21ad](https://github.com/aiidateam/aiida-submission-controller/commit/fad21ad05440966f5b770bf51b3cf8c441870187)]

aiida_submission_controller/__init__.py

@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 """A prototype package with tools to submit processes in batches, avoiding to submit too many."""
-__version__ = "0.1.2"
+__version__ = "0.2.0"
 
 __author__ = "Giovanni Pizzi, Austin Zadoks"
 

pyproject.toml

@@ -1,10 +1,10 @@
 [build-system]
-requires = ["flit_core>=3.4,<4"]
+requires = ["flit_core>=3.8,<4"]
 build-backend = "flit_core.buildapi"
 
 [project]
 name = "aiida-submission-controller"
-version = "0.1.2"
+dynamic = ["version"]
 authors = [
   {name = "Giovanni Pizzi"},
   {name = "Austin Zadoks"},