emmet-builders 0.48.3__tar.gz → 0.48.4__tar.gz

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: emmet-builders
-Version: 0.48.3
+Version: 0.48.4
 Summary: Builders for the Emmet Library
 Home-page: https://github.com/materialsproject/emmet
 Author: The Materials Project

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/emmet/builders/abinit/phonon.py

@@ -56,7 +56,8 @@ class PhononBuilder(Builder):
         standard MongoDB document.
 
         Args:
-            materials (Store): source Store of materials documents.
+            phonon_materials (Store): source Store of phonon materials documents
+                containing abinit_input and abinit_output.
             ddb_source (Store): source Store of ddb files. Matching the data in the materials Store.
             phonon (Store): target Store of the phonon properties
             phonon_bs (Store): target Store for the phonon band structure. The document may

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/emmet/builders/abinit/sound_velocity.py

@@ -1,5 +1,4 @@
 import tempfile
-import gridfs
 import traceback
 from typing import Optional, Dict, List, Iterator
 
@@ -16,7 +15,8 @@ from emmet.core.utils import jsanitize
 class SoundVelocityBuilder(Builder):
     def __init__(
         self,
-        materials: Store,
+        phonon_materials: Store,
+        ddb_source: Store,
         sound_vel: Store,
         query: Optional[dict] = None,
         manager: Optional[TaskManager] = None,
@@ -27,14 +27,17 @@ class SoundVelocityBuilder(Builder):
         the phonon calculations.
 
         Args:
-            materials (Store): source Store of materials documents
+            phonon_materials (Store): source Store of phonon materials documents
+                containing abinit_input and abinit_output.
+            ddb_source (Store): source Store of ddb files. Matching the data in the materials Store.
             sound_vel (Store): target Store of the sound velocity
             query (dict): dictionary to limit materials to be analyzed
             manager (TaskManager): an instance of the abipy TaskManager. If None it will be
                 generated from user configuration.
         """
 
-        self.materials = materials
+        self.phonon_materials = phonon_materials
+        self.ddb_source = ddb_source
         self.sound_vel = sound_vel
         self.query = query or {}
 
@@ -43,7 +46,7 @@ class SoundVelocityBuilder(Builder):
         else:
             self.manager = manager
 
-        super().__init__(sources=[materials], targets=[sound_vel], **kwargs)
+        super().__init__(sources=[phonon_materials], targets=[sound_vel], **kwargs)
 
     def get_items(self) -> Iterator[Dict]:
         """
@@ -71,15 +74,12 @@ class SoundVelocityBuilder(Builder):
         # file ids to be fetched
         projection["abinit_output.ddb_id"] = 1
 
-        # initialize the gridfs
-        ddbfs = gridfs.GridFS(self.materials.collection.database, "ddb_fs")
-
         for m in mats:
-            item = self.materials.query_one(properties=projection, criteria={self.materials.key: m})
+            item = self.phonon_materials.query_one(properties=projection, criteria={self.phonon_materials.key: m})
 
             # Read the DDB file and pass as an object. Do not write here since in case of parallel
             # execution each worker will write its own file.
-            item["ddb_str"] = ddbfs.get(item["abinit_output"]["ddb_id"]).read().decode("utf-8")
+            item["ddb_str"] = self.ddb_source.get(item["abinit_output"]["ddb_id"]).read().decode("utf-8")
 
             yield item
 

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/emmet_builders.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: emmet-builders
-Version: 0.48.3
+Version: 0.48.4
 Summary: Builders for the Emmet Library
 Home-page: https://github.com/materialsproject/emmet
 Author: The Materials Project

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/deployment.txt

@@ -12,9 +12,9 @@ attrs==22.2.0
     # via jsonschema
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.77
+boto3==1.26.80
     # via maggma
-botocore==1.29.77
+botocore==1.29.80
     # via
     #   boto3
     #   s3transfer
@@ -40,7 +40,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.44.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (emmet/emmet-builders/setup.py)
     #   mp-api
@@ -152,7 +152,7 @@ paramiko==3.0.0
     # via sshtunnel
 pillow==9.4.0
     # via matplotlib
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pubchempy==1.0.4
     # via robocrys
@@ -169,9 +169,9 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
-pymatgen==2023.1.30
+pymatgen==2023.2.22
     # via
     #   emmet-core
     #   matminer
@@ -283,7 +283,7 @@ urllib3==1.26.14
     #   requests
 werkzeug==2.2.3
     # via flask
-zipp==3.14.0
+zipp==3.15.0
     # via
     #   importlib-metadata
     #   importlib-resources

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/macos-latest_py3.10.txt

@@ -12,9 +12,9 @@ attrs==22.2.0
     # via jsonschema
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -40,7 +40,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -144,7 +144,7 @@ paramiko==3.0.0
     # via sshtunnel
 pillow==9.4.0
     # via matplotlib
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pubchempy==1.0.4
     # via robocrys
@@ -161,7 +161,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pymatgen==2023.2.22
     # via

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/macos-latest_py3.10_extras.txt

@@ -14,9 +14,9 @@ attrs==22.2.0
     #   pytest
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -41,7 +41,7 @@ colorama==0.4.6
     # via griffe
 contourpy==1.0.7
     # via matplotlib
-coverage[toml]==7.2.0
+coverage[toml]==7.2.1
     # via pytest-cov
 cryptography==39.0.1
     # via paramiko
@@ -55,7 +55,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -239,7 +239,7 @@ pillow==9.4.0
     # via matplotlib
 platformdirs==3.0.0
     # via virtualenv
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pluggy==1.0.0
     # via pytest
@@ -264,7 +264,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pydocstyle==6.3.0
     # via emmet-builders (setup.py)
@@ -396,13 +396,11 @@ tqdm==4.64.1
     #   maggma
     #   matminer
     #   pymatgen
-types-docutils==0.19.1.6
-    # via types-setuptools
-types-requests==2.28.11.14
+types-requests==2.28.11.15
     # via emmet-builders (setup.py)
-types-setuptools==67.4.0.1
+types-setuptools==67.4.0.3
     # via emmet-builders (setup.py)
-types-urllib3==1.26.25.7
+types-urllib3==1.26.25.8
     # via types-requests
 typing-extensions==4.5.0
     # via
@@ -418,7 +416,7 @@ urllib3==1.26.14
     #   requests
 virtualenv==20.19.0
     # via pre-commit
-watchdog==2.2.1
+watchdog==2.3.0
     # via mkdocs
 wcmatch==8.4.1
     # via mkdocs-awesome-pages-plugin

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/macos-latest_py3.11.txt

@@ -12,9 +12,9 @@ attrs==22.2.0
     # via jsonschema
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -40,7 +40,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -144,7 +144,7 @@ paramiko==3.0.0
     # via sshtunnel
 pillow==9.4.0
     # via matplotlib
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pubchempy==1.0.4
     # via robocrys
@@ -161,7 +161,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pymatgen==2023.2.22
     # via

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/macos-latest_py3.11_extras.txt

@@ -14,9 +14,9 @@ attrs==22.2.0
     #   pytest
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -41,7 +41,7 @@ colorama==0.4.6
     # via griffe
 contourpy==1.0.7
     # via matplotlib
-coverage[toml]==7.2.0
+coverage[toml]==7.2.1
     # via pytest-cov
 cryptography==39.0.1
     # via paramiko
@@ -55,7 +55,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -237,7 +237,7 @@ pillow==9.4.0
     # via matplotlib
 platformdirs==3.0.0
     # via virtualenv
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pluggy==1.0.0
     # via pytest
@@ -262,7 +262,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pydocstyle==6.3.0
     # via emmet-builders (setup.py)
@@ -387,13 +387,11 @@ tqdm==4.64.1
     #   maggma
     #   matminer
     #   pymatgen
-types-docutils==0.19.1.6
-    # via types-setuptools
-types-requests==2.28.11.14
+types-requests==2.28.11.15
     # via emmet-builders (setup.py)
-types-setuptools==67.4.0.1
+types-setuptools==67.4.0.3
     # via emmet-builders (setup.py)
-types-urllib3==1.26.25.7
+types-urllib3==1.26.25.8
     # via types-requests
 typing-extensions==4.5.0
     # via
@@ -409,7 +407,7 @@ urllib3==1.26.14
     #   requests
 virtualenv==20.19.0
     # via pre-commit
-watchdog==2.2.1
+watchdog==2.3.0
     # via mkdocs
 wcmatch==8.4.1
     # via mkdocs-awesome-pages-plugin

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/macos-latest_py3.8.txt

@@ -12,9 +12,9 @@ attrs==22.2.0
     # via jsonschema
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -40,7 +40,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -152,7 +152,7 @@ pillow==9.4.0
     # via matplotlib
 pkgutil-resolve-name==1.3.10
     # via jsonschema
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pubchempy==1.0.4
     # via robocrys
@@ -169,7 +169,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pymatgen==2023.2.22
     # via
@@ -282,7 +282,7 @@ urllib3==1.26.14
     #   requests
 werkzeug==2.2.3
     # via flask
-zipp==3.14.0
+zipp==3.15.0
     # via
     #   importlib-metadata
     #   importlib-resources

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/macos-latest_py3.8_extras.txt

@@ -14,9 +14,9 @@ attrs==22.2.0
     #   pytest
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -41,7 +41,7 @@ colorama==0.4.6
     # via griffe
 contourpy==1.0.7
     # via matplotlib
-coverage[toml]==7.2.0
+coverage[toml]==7.2.1
     # via pytest-cov
 cryptography==39.0.1
     # via paramiko
@@ -55,7 +55,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -250,7 +250,7 @@ pkgutil-resolve-name==1.3.10
     # via jsonschema
 platformdirs==3.0.0
     # via virtualenv
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pluggy==1.0.0
     # via pytest
@@ -275,7 +275,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pydocstyle==6.3.0
     # via emmet-builders (setup.py)
@@ -407,13 +407,11 @@ tqdm==4.64.1
     #   maggma
     #   matminer
     #   pymatgen
-types-docutils==0.19.1.6
-    # via types-setuptools
-types-requests==2.28.11.14
+types-requests==2.28.11.15
     # via emmet-builders (setup.py)
-types-setuptools==67.4.0.1
+types-setuptools==67.4.0.3
     # via emmet-builders (setup.py)
-types-urllib3==1.26.25.7
+types-urllib3==1.26.25.8
     # via types-requests
 typing-extensions==4.5.0
     # via
@@ -431,7 +429,7 @@ urllib3==1.26.14
     #   requests
 virtualenv==20.19.0
     # via pre-commit
-watchdog==2.2.1
+watchdog==2.3.0
     # via mkdocs
 wcmatch==8.4.1
     # via mkdocs-awesome-pages-plugin
@@ -439,7 +437,7 @@ werkzeug==2.2.3
     # via flask
 wincertstore==0.2
     # via emmet-builders (setup.py)
-zipp==3.14.0
+zipp==3.15.0
     # via
     #   importlib-metadata
     #   importlib-resources

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/macos-latest_py3.9.txt

@@ -12,9 +12,9 @@ attrs==22.2.0
     # via jsonschema
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -40,7 +40,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -148,7 +148,7 @@ paramiko==3.0.0
     # via sshtunnel
 pillow==9.4.0
     # via matplotlib
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pubchempy==1.0.4
     # via robocrys
@@ -165,7 +165,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pymatgen==2023.2.22
     # via
@@ -278,7 +278,7 @@ urllib3==1.26.14
     #   requests
 werkzeug==2.2.3
     # via flask
-zipp==3.14.0
+zipp==3.15.0
     # via
     #   importlib-metadata
     #   importlib-resources

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/macos-latest_py3.9_extras.txt

@@ -14,9 +14,9 @@ attrs==22.2.0
     #   pytest
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -41,7 +41,7 @@ colorama==0.4.6
     # via griffe
 contourpy==1.0.7
     # via matplotlib
-coverage[toml]==7.2.0
+coverage[toml]==7.2.1
     # via pytest-cov
 cryptography==39.0.1
     # via paramiko
@@ -55,7 +55,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -246,7 +246,7 @@ pillow==9.4.0
     # via matplotlib
 platformdirs==3.0.0
     # via virtualenv
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pluggy==1.0.0
     # via pytest
@@ -271,7 +271,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pydocstyle==6.3.0
     # via emmet-builders (setup.py)
@@ -403,13 +403,11 @@ tqdm==4.64.1
     #   maggma
     #   matminer
     #   pymatgen
-types-docutils==0.19.1.6
-    # via types-setuptools
-types-requests==2.28.11.14
+types-requests==2.28.11.15
     # via emmet-builders (setup.py)
-types-setuptools==67.4.0.1
+types-setuptools==67.4.0.3
     # via emmet-builders (setup.py)
-types-urllib3==1.26.25.7
+types-urllib3==1.26.25.8
     # via types-requests
 typing-extensions==4.5.0
     # via
@@ -427,7 +425,7 @@ urllib3==1.26.14
     #   requests
 virtualenv==20.19.0
     # via pre-commit
-watchdog==2.2.1
+watchdog==2.3.0
     # via mkdocs
 wcmatch==8.4.1
     # via mkdocs-awesome-pages-plugin
@@ -435,7 +433,7 @@ werkzeug==2.2.3
     # via flask
 wincertstore==0.2
     # via emmet-builders (setup.py)
-zipp==3.14.0
+zipp==3.15.0
     # via
     #   importlib-metadata
     #   importlib-resources

{emmet-builders-0.48.3 → emmet-builders-0.48.4}/requirements/ubuntu-latest_py3.10.txt

@@ -12,9 +12,9 @@ attrs==22.2.0
     # via jsonschema
 bcrypt==4.0.1
     # via paramiko
-boto3==1.26.78
+boto3==1.26.79
     # via maggma
-botocore==1.29.78
+botocore==1.29.79
     # via
     #   boto3
     #   s3transfer
@@ -40,7 +40,7 @@ dnspython==2.3.0
     # via
     #   maggma
     #   pymongo
-emmet-core[all]==0.45.0
+emmet-core[all]==0.48.3
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -144,7 +144,7 @@ paramiko==3.0.0
     # via sshtunnel
 pillow==9.4.0
     # via matplotlib
-plotly==5.13.0
+plotly==5.13.1
     # via pymatgen
 pubchempy==1.0.4
     # via robocrys
@@ -161,7 +161,7 @@ pydantic==1.10.5
     #   fastapi
     #   inflect
     #   maggma
-pydash==6.0.1
+pydash==6.0.2
     # via maggma
 pymatgen==2023.2.22
     # via