Release v1.5.0 - Changelog

Author: bot-optimade

CHANGELOG.md

@@ -1,5 +1,26 @@
 # Changelog
 
+## [v1.5.0](https://github.com/Materials-Consortia/optimade-python-tools/tree/v1.5.0) (2026-06-20)
+
+[Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v1.4.2...v1.5.0)
+
+**Fixed bugs:**
+
+- Client does not use configured HTTP session for scraping provider list [\#2275](https://github.com/Materials-Consortia/optimade-python-tools/issues/2275)
+
+**Closed issues:**
+
+- Migrate off httpx [\#2388](https://github.com/Materials-Consortia/optimade-python-tools/issues/2388)
+- Switch dependency management to `uv` [\#2311](https://github.com/Materials-Consortia/optimade-python-tools/issues/2311)
+
+**Merged pull requests:**
+
+- Update GitHub changelog generator docker [\#2408](https://github.com/Materials-Consortia/optimade-python-tools/pull/2408) ([ml-evs](https://github.com/ml-evs))
+- Do not create release-specific changelog [\#2407](https://github.com/Materials-Consortia/optimade-python-tools/pull/2407) ([ml-evs](https://github.com/ml-evs))
+- Bump the github-actions group across 1 directory with 3 updates [\#2401](https://github.com/Materials-Consortia/optimade-python-tools/pull/2401) ([dependabot[bot]](https://github.com/apps/dependabot))
+- Revert "Revert "Use `uv` in CI workflows and add `uv.lock`"" [\#2397](https://github.com/Materials-Consortia/optimade-python-tools/pull/2397) ([ml-evs](https://github.com/ml-evs))
+- Allow a custom requests.Session for provider-list scraping [\#2380](https://github.com/Materials-Consortia/optimade-python-tools/pull/2380) ([vasa-develop](https://github.com/vasa-develop))
+
 ## [v1.4.2](https://github.com/Materials-Consortia/optimade-python-tools/tree/v1.4.2) (2026-06-20)
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v1.4.1...v1.4.2)
@@ -128,8 +149,8 @@
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v1.2.2...v1.2.3)
 
-Users of the `OptimadeClient` are recommended to install this update.
-
+Users of the `OptimadeClient` are recommended to install this update.
+
 This release fixes a nasty issue with the client that can cause it to hang infinitely when an malformed OPTIMADE API continues to return `next_url` with no additional data (thanks to @mehmetgiritli for the report and fix!) It also reduces the default MongoDB timeout when counting how many results are in a filter. As this count is performed for every page of queries, the previous high timeout could effectively set a minimum response time of 5 seconds. Issue #2251 tracks future improvements to this behaviour.
 
 **Fixed bugs:**
@@ -445,14 +466,14 @@ This v1.2.0 release is coincidentally the first to support some features from OP
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.25.3...v1.0.0)
 
-optimade-python-tools has reached v1.0.0!
-
-We have decided to make this first major release at this point due to the arduous migration to pydantic v2 between v1.0.0 and v0.25.3. This will allow for improved compatibility with the rest of the ecosystem, plus all of the performance and ergonomics benefits of the new pydantic.
-
-If you are using optimade-python-tools primarily as a library, then you may need to make some code changes to support the new version. For example, the underlying API for dealing with the pydantic models has changed (e.g., `model.dict()` is now `model.model_dump()`) -- a full migration guide can be found in the [pydantic docs](https://docs.pydantic.dev/latest/migration/). Additionally, any cases where the underlying JSON schemas were being modified may need to be updated; internally we are pretty much exclusively operating on the pydantic model objects without needing to modify the raw schemas anymore.
-
-Going forward, v1.0.x will be the last series to support v1.1 of the OPTIMADE specification, with future versions of the package v1.x.y adding features from the pre-release of OPTIMADE v1.2.
-
+optimade-python-tools has reached v1.0.0!
+
+We have decided to make this first major release at this point due to the arduous migration to pydantic v2 between v1.0.0 and v0.25.3. This will allow for improved compatibility with the rest of the ecosystem, plus all of the performance and ergonomics benefits of the new pydantic.
+
+If you are using optimade-python-tools primarily as a library, then you may need to make some code changes to support the new version. For example, the underlying API for dealing with the pydantic models has changed (e.g., `model.dict()` is now `model.model_dump()`) -- a full migration guide can be found in the [pydantic docs](https://docs.pydantic.dev/latest/migration/). Additionally, any cases where the underlying JSON schemas were being modified may need to be updated; internally we are pretty much exclusively operating on the pydantic model objects without needing to modify the raw schemas anymore.
+
+Going forward, v1.0.x will be the last series to support v1.1 of the OPTIMADE specification, with future versions of the package v1.x.y adding features from the pre-release of OPTIMADE v1.2.
+
 A branch will be maintained for the v0.25.x series will be maintained for those who are stuck on pydantic v1 and run into bugs. Please make it clear in any bug reports if you are using this version.
 
 **Fixed bugs:**
@@ -639,36 +660,36 @@ This release adds a new feature to the reference server for avoiding validating
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.20.3...v0.21.0)
 
-This minor release contains new client functionality and improved support for ASE.
-
-## New features:
-
-- Ability to specify async callback functions that are called after every client response.
-  This can be used for e.g., iteratively saving to file or a database. For example:
-
-  ```python
-  from optimade.client import OptimadeClient
-
-  DATABASE = pymongo.MongoClient().database.collection
-
-  def save_callback(url, results) -> None:
-      for structure in results["data"]:
-          DATABASE.insert_one(structure)
-
-  client = OptimadeClient(callbacks=[save_callback])
-  client.get()
-  ```
-
-- Ability to create OPTIMADE structure objects from ASE atoms:
-  ```python
-  from optimade.adapters import Structure
-  from ase import Atoms
-
-  co = Atoms('CO', positions=[(0, 0, 0), (0, 0, 1.1)])
-
-  structure = Structure.from_ase_atoms(co)
-  ```
-
+This minor release contains new client functionality and improved support for ASE.
+
+## New features:
+
+- Ability to specify async callback functions that are called after every client response.
+  This can be used for e.g., iteratively saving to file or a database. For example:
+
+  ```python
+  from optimade.client import OptimadeClient
+
+  DATABASE = pymongo.MongoClient().database.collection
+
+  def save_callback(url, results) -> None:
+      for structure in results["data"]:
+          DATABASE.insert_one(structure)
+
+  client = OptimadeClient(callbacks=[save_callback])
+  client.get()
+  ```
+
+- Ability to create OPTIMADE structure objects from ASE atoms:
+  ```python
+  from optimade.adapters import Structure
+  from ase import Atoms
+
+  co = Atoms('CO', positions=[(0, 0, 0), (0, 0, 1.1)])
+
+  structure = Structure.from_ase_atoms(co)
+  ```
+
 - Added ability to mute the client progress bars with `--silent`/`silent=True` and increased default response timeouts to better reflect those required for practical queries.
 
 **Implemented enhancements:**
@@ -704,25 +725,25 @@ This release primarily adds compatibility for the newest FastAPI releases (`>=0.
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.20.1...v0.20.2)
 
-This release adds the ability to include or exclude particular providers from queries with the `OptimadeClient` class and `optimade-get` CLI, via the provider's registered prefix (#1412)
-
-For example:
-
-```shell
-# Only query databases served by the example providers
-optimade-get --include-providers exmpl,optimade
-# Exclude example providers from global list
-optimade-get --exclude-providers exmpl,optimade
-```
-
-You can also now exclude particular databases by their URLs:
-```shell
-# Exclude specific example databases
-optimade-get --exclude-databases https://example.org/optimade,https://optimade.org/example
-```
-
-The release also includes some server enhancements and fixes:
-- Caching of `/info/` and `/info/<entry>` endpoint responses (#1433)
+This release adds the ability to include or exclude particular providers from queries with the `OptimadeClient` class and `optimade-get` CLI, via the provider's registered prefix (#1412)
+
+For example:
+
+```shell
+# Only query databases served by the example providers
+optimade-get --include-providers exmpl,optimade
+# Exclude example providers from global list
+optimade-get --exclude-providers exmpl,optimade
+```
+
+You can also now exclude particular databases by their URLs:
+```shell
+# Exclude specific example databases
+optimade-get --exclude-databases https://example.org/optimade,https://optimade.org/example
+```
+
+The release also includes some server enhancements and fixes:
+- Caching of `/info/` and `/info/<entry>` endpoint responses (#1433)
 - A bugfix for the entry mapper classes, which were sharing cache resources globally leading to poor utilization (#1435)
 
 **Implemented enhancements:**
@@ -759,8 +780,8 @@ The release also includes some server enhancements and fixes:
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.19.4...v0.20.0)
 
-This release continues the modularisation of the package by moving the server exceptions and warnings out into top-level modules, and removing the core dependency on FastAPI (now a server dependency only). This should allow for easier use of the `optimade.models` and `optimade.client` modules within other packages.
-
+This release continues the modularisation of the package by moving the server exceptions and warnings out into top-level modules, and removing the core dependency on FastAPI (now a server dependency only). This should allow for easier use of the `optimade.models` and `optimade.client` modules within other packages.
+
 Aside from that, the package now supports Python 3.11, and our example server is now deployed at [Fly.io](https://optimade.fly.dev) rather than Heroku.
 
 **Implemented enhancements:**
@@ -851,7 +872,7 @@ This is a hotfix release for #1335, a bug regarding chunked responses triggered
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.18.0...v0.19.0)
 
-This minor release includes several usability improvements for the server and client arising from the OPTIMADE workshop.
+This minor release includes several usability improvements for the server and client arising from the OPTIMADE workshop.
 This release also drops support for Python 3.7, which should allow us to streamline our dependencies going forward.
 
 **Implemented enhancements:**
@@ -888,10 +909,10 @@ This release also drops support for Python 3.7, which should allow us to streaml
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.17.2...v0.18.0)
 
-This is a feature release that includes the new `optimade.client.OptimadeClient` class, a client capable asynchronously querying multiple OPTIMADE APIs simultaneously.
-It also contains a patch for the OPTIMADE models that allows them to be used with more recent FastAPI versions without breaking OpenAPI 3.0 compatibility.
+This is a feature release that includes the new `optimade.client.OptimadeClient` class, a client capable asynchronously querying multiple OPTIMADE APIs simultaneously.
+It also contains a patch for the OPTIMADE models that allows them to be used with more recent FastAPI versions without breaking OpenAPI 3.0 compatibility.
 Other changes can be found below.
-This release includes improvements to the validator to catch more cases where OPTIMADE APIs are only partially implemented.
+This release includes improvements to the validator to catch more cases where OPTIMADE APIs are only partially implemented.
 Previously, APIs that did not support filtering, pagination or limiting response fields at all (i.e., the query parameter is simply ignored) would pass most validation tests erroneously in some unlucky situations (#1180).
 
 **Implemented enhancements:**
@@ -915,7 +936,7 @@ Previously, APIs that did not support filtering, pagination or limiting response
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.17.1...v0.17.2)
 
-This release includes improvements to the validator to catch more cases where OPTIMADE APIs are only partially implemented.
+This release includes improvements to the validator to catch more cases where OPTIMADE APIs are only partially implemented.
 Previously, APIs that did not support filtering, pagination or limiting response fields at all (i.e., the query parameter is simply ignored) would pass most validation tests erroneously in some unlucky situations (#1180).
 
 **Fixed bugs:**
@@ -930,10 +951,10 @@ Previously, APIs that did not support filtering, pagination or limiting response
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.17.0...v0.17.1)
 
-This patch release adds a pre-built Docker container for the reference server to the GitHub Container Registry (GHCR) and a series of [Deployment instructions](https://www.optimade.org/optimade-python-tools/v0.17.1/deployment/container/) in the online documentation.
-
-The image can be easily pulled from GHCR with:
-
+This patch release adds a pre-built Docker container for the reference server to the GitHub Container Registry (GHCR) and a series of [Deployment instructions](https://www.optimade.org/optimade-python-tools/v0.17.1/deployment/container/) in the online documentation.
+
+The image can be easily pulled from GHCR with:
+
 ```docker pull ghcr.io/materials-consortia/optimade```
 
 **Implemented enhancements:**
@@ -953,10 +974,10 @@ The image can be easily pulled from GHCR with:
 
 [Full Changelog](https://github.com/Materials-Consortia/optimade-python-tools/compare/v0.16.12...v0.17.0)
 
-This minor release contains fixes recommended for those deploying the optimade-python-tools reference server:
-
-- The `meta->data_returned` field was previously incorrect when using the MongoDB backend.
-- Incoming URL query parameters are now validated against the provided query parameters class (if using custom query parameters, this class should be extended or the parameters should use your registered provider prefix). This functionality can be disabled with the `validate_query_parameters` config option.
+This minor release contains fixes recommended for those deploying the optimade-python-tools reference server:
+
+- The `meta->data_returned` field was previously incorrect when using the MongoDB backend.
+- Incoming URL query parameters are now validated against the provided query parameters class (if using custom query parameters, this class should be extended or the parameters should use your registered provider prefix). This functionality can be disabled with the `validate_query_parameters` config option.
 - The results of some queries were not reversible with MongoDB (e.g., `nelements != 2` vs `2 != nelements`); this has now been fixed.
 
 **Implemented enhancements:**

docs/static/default_config.json

@@ -12,7 +12,7 @@
     "base_url": null,
     "implementation": {
         "name": "OPTIMADE Python Tools",
-        "version": "1.4.2",
+        "version": "1.5.0",
         "source_url": "https://github.com/Materials-Consortia/optimade-python-tools",
         "maintainer": {"email": "dev@optimade.org"}
     },

openapi/index_openapi.json

@@ -2,7 +2,7 @@
   "openapi": "3.1.0",
   "info": {
     "title": "OPTIMADE API - Index meta-database",
-    "description": "The [Open Databases Integration for Materials Design (OPTIMADE) consortium](https://www.optimade.org/) aims to make materials databases interoperational by developing a common REST API.\nThis is the \"special\" index meta-database.\n\nThis specification is generated using [`optimade-python-tools`](https://github.com/Materials-Consortia/optimade-python-tools/tree/v1.4.2) v1.4.2.",
+    "description": "The [Open Databases Integration for Materials Design (OPTIMADE) consortium](https://www.optimade.org/) aims to make materials databases interoperational by developing a common REST API.\nThis is the \"special\" index meta-database.\n\nThis specification is generated using [`optimade-python-tools`](https://github.com/Materials-Consortia/optimade-python-tools/tree/v1.5.0) v1.5.0.",
     "version": "1.2.0"
   },
   "paths": {

openapi/openapi.json

@@ -2,7 +2,7 @@
   "openapi": "3.1.0",
   "info": {
     "title": "OPTIMADE API",
-    "description": "The [Open Databases Integration for Materials Design (OPTIMADE) consortium](https://www.optimade.org/) aims to make materials databases interoperational by developing a common REST API.\n\nThis specification is generated using [`optimade-python-tools`](https://github.com/Materials-Consortia/optimade-python-tools/tree/v1.4.2) v1.4.2.",
+    "description": "The [Open Databases Integration for Materials Design (OPTIMADE) consortium](https://www.optimade.org/) aims to make materials databases interoperational by developing a common REST API.\n\nThis specification is generated using [`optimade-python-tools`](https://github.com/Materials-Consortia/optimade-python-tools/tree/v1.5.0) v1.5.0.",
     "version": "1.2.0"
   },
   "paths": {

optimade/__init__.py

@@ -1,2 +1,2 @@
-__version__ = "1.4.2"
+__version__ = "1.5.0"
 __api_version__ = "1.2.0"