Merge branch 'main' of https://github.com/materialsproject/maggma int…

…o readme
materialsproject · Jun 21, 2024 · 0f49a42 · 0f49a42
2 parents 6d58e39 + bc3d73f
commit 0f49a42
Show file tree

Hide file tree

Showing 56 changed files with 248 additions and 263 deletions.
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -10,26 +10,26 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.0.280
+    rev: v0.4.10
     hooks:
       - id: ruff
         args: [--fix, --show-fixes, --ignore, D, --extend-select, D411]
 
   - repo: https://github.com/psf/black
-    rev: 23.7.0
+    rev: 24.4.2
     hooks:
       - id: black
 
   - repo: https://github.com/codespell-project/codespell
-    rev: v2.2.5
+    rev: v2.3.0
     hooks:
       - id: codespell
         stages: [commit, commit-msg]
         exclude_types: [html]
         additional_dependencies: [tomli] # needed to read pyproject.toml below py3.11
 
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.4.0
+    rev: v4.6.0
     hooks:
       - id: check-case-conflict
       - id: check-symlinks

diff --git a/docs/CHANGELOG.md b/docs/CHANGELOG.md
@@ -1,5 +1,21 @@
 # Changelog
 
+## [v0.68.6](https://github.com/materialsproject/maggma/tree/v0.68.6) (2024-06-20)
+
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.68.5...v0.68.6)
+
+**Merged pull requests:**
+
+- move API to optional dependency group; move OpenData to default installation [\#970](https://github.com/materialsproject/maggma/pull/970) ([rkingsbury](https://github.com/rkingsbury))
+
+## [v0.68.5](https://github.com/materialsproject/maggma/tree/v0.68.5) (2024-06-20)
+
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.68.4...v0.68.5)
+
+**Merged pull requests:**
+
+- mv mongogrant to optional dependency group [\#968](https://github.com/materialsproject/maggma/pull/968) ([rkingsbury](https://github.com/rkingsbury))
+
 ## [v0.68.4](https://github.com/materialsproject/maggma/tree/v0.68.4) (2024-06-11)
 
 [Full Changelog](https://github.com/materialsproject/maggma/compare/v0.68.3...v0.68.4)
@@ -357,19 +373,19 @@
 
 ## [v0.53.0](https://github.com/materialsproject/maggma/tree/v0.53.0) (2023-08-02)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.52.2...v0.53.0)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.52.1...v0.53.0)
 
 **Merged pull requests:**
 
 - allow \>5GB and turn on multi-part uploads for AWS [\#829](https://github.com/materialsproject/maggma/pull/829) ([kbuma](https://github.com/kbuma))
 
-## [v0.52.2](https://github.com/materialsproject/maggma/tree/v0.52.2) (2023-08-02)
+## [v0.52.1](https://github.com/materialsproject/maggma/tree/v0.52.1) (2023-08-02)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.52.1...v0.52.2)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.52.2...v0.52.1)
 
-## [v0.52.1](https://github.com/materialsproject/maggma/tree/v0.52.1) (2023-08-02)
+## [v0.52.2](https://github.com/materialsproject/maggma/tree/v0.52.2) (2023-08-02)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.52.0...v0.52.1)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.52.0...v0.52.2)
 
 **Merged pull requests:**
 
@@ -383,19 +399,19 @@
 
 ## [v0.51.25](https://github.com/materialsproject/maggma/tree/v0.51.25) (2023-07-27)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.24...v0.51.25)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.23...v0.51.25)
 
 **Merged pull requests:**
 
 - Some cleanup: `isort`, updated classifiers, remove unused kwarg [\#833](https://github.com/materialsproject/maggma/pull/833) ([Andrew-S-Rosen](https://github.com/Andrew-S-Rosen))
 
-## [v0.51.24](https://github.com/materialsproject/maggma/tree/v0.51.24) (2023-07-21)
+## [v0.51.23](https://github.com/materialsproject/maggma/tree/v0.51.23) (2023-07-21)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.23...v0.51.24)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.24...v0.51.23)
 
-## [v0.51.23](https://github.com/materialsproject/maggma/tree/v0.51.23) (2023-07-21)
+## [v0.51.24](https://github.com/materialsproject/maggma/tree/v0.51.24) (2023-07-21)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.22...v0.51.23)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.22...v0.51.24)
 
 **Closed issues:**
 
@@ -479,23 +495,23 @@
 
 ## [v0.51.13](https://github.com/materialsproject/maggma/tree/v0.51.13) (2023-07-06)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.10...v0.51.13)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.12...v0.51.13)
 
 **Merged pull requests:**
 
 - Add explicit store close to resources [\#814](https://github.com/materialsproject/maggma/pull/814) ([munrojm](https://github.com/munrojm))
 
-## [v0.51.10](https://github.com/materialsproject/maggma/tree/v0.51.10) (2023-06-27)
+## [v0.51.12](https://github.com/materialsproject/maggma/tree/v0.51.12) (2023-06-27)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.11...v0.51.10)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.11...v0.51.12)
 
 ## [v0.51.11](https://github.com/materialsproject/maggma/tree/v0.51.11) (2023-06-27)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.12...v0.51.11)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.10...v0.51.11)
 
-## [v0.51.12](https://github.com/materialsproject/maggma/tree/v0.51.12) (2023-06-27)
+## [v0.51.10](https://github.com/materialsproject/maggma/tree/v0.51.10) (2023-06-27)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.9...v0.51.12)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.9...v0.51.10)
 
 **Merged pull requests:**
 
@@ -557,19 +573,19 @@
 
 ## [v0.51.4](https://github.com/materialsproject/maggma/tree/v0.51.4) (2023-06-02)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.2...v0.51.4)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.3...v0.51.4)
 
 **Merged pull requests:**
 
 - modify JSONStore file creation [\#792](https://github.com/materialsproject/maggma/pull/792) ([gpetretto](https://github.com/gpetretto))
 
-## [v0.51.2](https://github.com/materialsproject/maggma/tree/v0.51.2) (2023-05-29)
+## [v0.51.3](https://github.com/materialsproject/maggma/tree/v0.51.3) (2023-05-29)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.3...v0.51.2)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.2...v0.51.3)
 
-## [v0.51.3](https://github.com/materialsproject/maggma/tree/v0.51.3) (2023-05-29)
+## [v0.51.2](https://github.com/materialsproject/maggma/tree/v0.51.2) (2023-05-29)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.1...v0.51.3)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.51.1...v0.51.2)
 
 **Merged pull requests:**
 
@@ -706,19 +722,19 @@
 
 ## [v0.49.9](https://github.com/materialsproject/maggma/tree/v0.49.9) (2022-11-01)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.49.7...v0.49.9)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.49.8...v0.49.9)
 
 **Merged pull requests:**
 
 - Parse datetime with dateutil [\#741](https://github.com/materialsproject/maggma/pull/741) ([munrojm](https://github.com/munrojm))
 
-## [v0.49.7](https://github.com/materialsproject/maggma/tree/v0.49.7) (2022-10-25)
+## [v0.49.8](https://github.com/materialsproject/maggma/tree/v0.49.8) (2022-10-25)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.49.8...v0.49.7)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.49.7...v0.49.8)
 
-## [v0.49.8](https://github.com/materialsproject/maggma/tree/v0.49.8) (2022-10-25)
+## [v0.49.7](https://github.com/materialsproject/maggma/tree/v0.49.7) (2022-10-25)
 
-[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.49.6...v0.49.8)
+[Full Changelog](https://github.com/materialsproject/maggma/compare/v0.49.6...v0.49.7)
 
 **Merged pull requests:**
 

diff --git a/docs/getting_started/simple_builder.md b/docs/getting_started/simple_builder.md
@@ -112,7 +112,7 @@ One advantage of using the generator approach is it is less memory intensive tha
 
 `process_item` just has to do the parallelizable work on each item. Since the item is whatever comes out of `get_items`, you know exactly what it should be. It may be a single document, a list of documents, a mapping, a set, etc.
 
-Our simple process item just has to multiply one field by `self.mulitplier`:
+Our simple process item just has to multiply one field by `self.multiplier`:
 
 ``` python
 

diff --git a/pyproject.toml b/pyproject.toml
@@ -34,18 +34,17 @@ dependencies = [
         "pydash>=4.1.0",
         "jsonschema>=3.1.1",
         "tqdm>=4.19.6",
-        "mongogrant>=0.3.1",
+        "pandas>=2.2",
+        "jsonlines>=4.0.0",
         "aioitertools>=0.5.1",
         "numpy>=1.17.3",
-        "fastapi>=0.42.0",
         "pyzmq>=24.0.1",
         "dnspython>=1.16.0",
         "sshtunnel>=0.1.5",
         "msgpack>=0.5.6",
         "orjson>=3.9.0",
         "boto3>=1.20.41",
         "python-dateutil>=2.8.2",
-        "uvicorn>=0.18.3",
     ]
 
 [project.urls]
@@ -61,9 +60,10 @@ vasp = ["pymatgen"]
 vault = ["hvac>=0.9.5"]
 memray = ["memray>=1.7.0"]
 montydb = ["montydb>=2.3.12"]
+mongogrant = ["mongogrant>=0.3.1"]
 notebook_runner = ["IPython>=8.11", "nbformat>=5.0", "regex>=2020.6"]
 azure = ["azure-storage-blob>=12.16.0", "azure-identity>=1.12.0"]
-open_data = ["pandas>=2.1.4", "jsonlines>=4.0.0"]
+api = ["fastapi>=0.42.0","uvicorn>=0.18.3"]
 testing = [
             "pytest",
             "pytest-cov",
@@ -102,6 +102,9 @@ line-length = 120
 
 [tool.ruff]
 line-length = 120
+src = ["src"]
+
+[tool.ruff.lint]
 select = [
   "B",    # flake8-bugbear
   "C4",   # flake8-comprehensions
@@ -132,6 +135,7 @@ select = [
   "UP",   # pyupgrade
   "W",    # pycodestyle warning
   "YTT",  # flake8-2020
+  "NPY201", # numpy 2.0
 ]
 ignore = [
   "B023",    # Function definition does not bind loop variable
@@ -155,10 +159,8 @@ ignore = [
 ]
 pydocstyle.convention = "google"
 isort.split-on-trailing-comma = false
-src = ["src"]
-
 
-[tool.ruff.per-file-ignores]
+[tool.ruff.lint.per-file-ignores]
 "__init__.py" = ["F401"]
 "tasks.py" = ["D"]
 "tests/*" = ["D"]

diff --git a/requirements/macos-latest_py3.10.txt b/requirements/macos-latest_py3.10.txt
@@ -21,9 +21,9 @@ bcrypt==4.1.3
     # via paramiko
 blinker==1.8.2
     # via flask
-boto3==1.34.122
+boto3==1.34.127
     # via maggma (pyproject.toml)
-botocore==1.34.122
+botocore==1.34.127
     # via
     #   boto3
     #   s3transfer
@@ -51,7 +51,7 @@ dnspython==2.6.1
     #   email-validator
     #   maggma (pyproject.toml)
     #   pymongo
-email-validator==2.1.1
+email-validator==2.1.2
     # via fastapi
 exceptiongroup==1.2.1
     # via anyio
@@ -107,9 +107,9 @@ monty==2024.5.24
     # via maggma (pyproject.toml)
 msgpack==1.0.8
     # via maggma (pyproject.toml)
-numpy==1.26.4
+numpy==2.0.0
     # via maggma (pyproject.toml)
-orjson==3.10.3
+orjson==3.10.5
     # via
     #   fastapi
     #   maggma (pyproject.toml)
@@ -119,14 +119,14 @@ paramiko==3.4.0
     # via sshtunnel
 pycparser==2.22
     # via cffi
-pydantic==2.7.3
+pydantic==2.7.4
     # via
     #   fastapi
     #   maggma (pyproject.toml)
     #   pydantic-settings
 pydantic-core==2.18.4
     # via pydantic
-pydantic-settings==2.3.1
+pydantic-settings==2.3.3
     # via maggma (pyproject.toml)
 pydash==8.0.1
     # via maggma (pyproject.toml)