emmet-builders 0.84.3rc0__tar.gz → 0.84.3rc2__tar.gz

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: emmet-builders
-Version: 0.84.3rc0
+Version: 0.84.3rc2
 Summary: Builders for the Emmet Library
 Home-page: https://github.com/materialsproject/emmet
 Author: The Materials Project

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/emmet/builders/vasp/materials.py

@@ -238,9 +238,11 @@ class MaterialsBuilder(Builder):
         grouped_tasks = self.filter_and_group_tasks(tasks, task_transformations)
         materials = []
         for group in grouped_tasks:
+            # commercial_license == True means that the default CC-BY license is applied
+            # commercial_license == False means that a CC-BY-NC license is applied
             commercial_license = True
             for task_doc in group:
-                if set(task_doc.tags).intersection(
+                if task_doc.tags and set(task_doc.tags).intersection(
                     set(self.settings.NON_COMMERCIAL_TAGS)
                 ):
                     commercial_license = False

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/emmet_builders.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: emmet-builders
-Version: 0.84.3rc0
+Version: 0.84.3rc2
 Summary: Builders for the Emmet Library
 Home-page: https://github.com/materialsproject/emmet
 Author: The Materials Project

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/requirements/ubuntu-latest_py3.10.txt

@@ -19,9 +19,9 @@ attrs==24.2.0
     #   referencing
 bcrypt==4.2.0
     # via paramiko
-boto3==1.35.26
+boto3==1.35.34
     # via maggma
-botocore==1.35.26
+botocore==1.35.34
     # via
     #   boto3
     #   s3transfer
@@ -39,7 +39,7 @@ cryptography==43.0.1
     # via paramiko
 cycler==0.12.1
     # via matplotlib
-dnspython==2.6.1
+dnspython==2.7.0
     # via
     #   maggma
     #   pymongo
@@ -55,7 +55,7 @@ fonttools==4.54.1
     # via matplotlib
 griddataformats==1.0.2
     # via mdanalysis
-h5py==3.11.0
+h5py==3.12.1
     # via phonopy
 idna==3.10
     # via requests
@@ -88,13 +88,13 @@ latexcodec==3.0.0
     # via pybtex
 lazy-loader==0.4
     # via scikit-image
-maggma==0.69.3
+maggma==0.69.4
     # via
     #   emmet-builders (setup.py)
     #   mp-api
 matcalc==0.0.4
     # via emmet-core
-matminer==0.9.2
+matminer==0.9.3
     # via
     #   emmet-builders (setup.py)
     #   robocrys
@@ -238,7 +238,7 @@ pydantic-settings==2.5.2
     #   maggma
 pydash==8.0.3
     # via maggma
-pymatgen==2024.9.17.1
+pymatgen==2024.10.3
     # via
     #   emmet-core
     #   matcalc
@@ -255,7 +255,7 @@ pymatgen-analysis-defects==2024.7.19
     # via emmet-core
 pymatgen-analysis-diffusion==2024.7.15
     # via emmet-core
-pymongo==4.9.1
+pymongo==4.10.1
     # via
     #   maggma
     #   matminer
@@ -294,7 +294,7 @@ requests==2.32.3
     #   matminer
     #   mp-api
     #   pymatgen
-robocrys==0.2.9
+robocrys==0.2.10
     # via emmet-core
 rpds-py==0.20.0
     # via
@@ -337,7 +337,7 @@ six==1.16.0
     #   patsy
     #   pybtex
     #   python-dateutil
-smart-open==7.0.4
+smart-open==7.0.5
     # via mp-api
 solvation-analysis==0.4.1
     # via
@@ -351,7 +351,7 @@ spglib==2.5.0
     #   seekpath
 sshtunnel==0.4.0
     # via maggma
-statsmodels==0.14.3
+statsmodels==0.14.4
     # via solvation-analysis
 sympy==1.13.3
     # via
@@ -367,7 +367,7 @@ threadpoolctl==3.5.0
     #   scikit-learn
 tifffile==2024.9.20
     # via scikit-image
-tomli==2.0.1
+tomli==2.0.2
     # via pytest
 tqdm==4.66.5
     # via

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/requirements/ubuntu-latest_py3.10_extras.txt

@@ -4,9 +4,9 @@
 #
 #    pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.10_extras.txt
 #
-aiohappyeyeballs==2.4.0
+aiohappyeyeballs==2.4.3
     # via aiohttp
-aiohttp==3.10.6
+aiohttp==3.10.9
     # via fsspec
 aioitertools==0.12.0
     # via maggma
@@ -30,13 +30,13 @@ attrs==24.2.0
     #   referencing
 bcrypt==4.2.0
     # via paramiko
-boto3==1.35.26
+boto3==1.35.34
     # via maggma
-botocore==1.35.26
+botocore==1.35.34
     # via
     #   boto3
     #   s3transfer
-bracex==2.5
+bracex==2.5.post1
     # via wcmatch
 certifi==2024.8.30
     # via requests
@@ -74,7 +74,7 @@ dgl==2.1.0
     #   matgl
 distlib==0.3.8
     # via virtualenv
-dnspython==2.6.1
+dnspython==2.7.0
     # via
     #   maggma
     #   pymongo
@@ -108,9 +108,9 @@ ghp-import==2.1.0
     # via mkdocs
 griddataformats==1.0.2
     # via mdanalysis
-griffe==1.3.1
+griffe==1.3.2
     # via mkdocstrings-python
-h5py==3.11.0
+h5py==3.12.1
     # via phonopy
 htmlmin2==0.1.13
     # via mkdocs-minify-plugin
@@ -167,7 +167,7 @@ lightning-utilities==0.11.7
     #   torchmetrics
 livereload==2.7.0
     # via emmet-builders (setup.py)
-maggma==0.69.3
+maggma==0.69.4
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -188,7 +188,7 @@ matcalc==0.0.4
     # via emmet-core
 matgl==1.1.3
     # via emmet-core
-matminer==0.9.2
+matminer==0.9.3
     # via
     #   emmet-builders (setup.py)
     #   robocrys
@@ -357,7 +357,7 @@ nvidia-ml-py3==7.352.0
     # via chgnet
 nvidia-nccl-cu12==2.20.5
     # via torch
-nvidia-nvjitlink-cu12==12.6.68
+nvidia-nvjitlink-cu12==12.6.77
     # via
     #   nvidia-cusolver-cu12
     #   nvidia-cusparse-cu12
@@ -415,7 +415,7 @@ plotly==5.24.1
     #   solvation-analysis
 pluggy==1.5.0
     # via pytest
-pre-commit==3.8.0
+pre-commit==4.0.0
     # via emmet-builders (setup.py)
 psutil==6.0.0
     # via dgl
@@ -452,7 +452,7 @@ pyflakes==3.2.0
     # via flake8
 pygments==2.18.0
     # via mkdocs-material
-pymatgen==2024.9.17.1
+pymatgen==2024.10.3
     # via
     #   chgnet
     #   emmet-core
@@ -471,11 +471,11 @@ pymatgen-analysis-defects==2024.7.19
     # via emmet-core
 pymatgen-analysis-diffusion==2024.7.15
     # via emmet-core
-pymdown-extensions==10.10.1
+pymdown-extensions==10.11.2
     # via
     #   mkdocs-material
     #   mkdocstrings
-pymongo==4.9.1
+pymongo==4.10.1
     # via
     #   maggma
     #   matminer
@@ -534,7 +534,7 @@ requests==2.32.3
     #   mp-api
     #   pymatgen
     #   torchdata
-robocrys==0.2.9
+robocrys==0.2.10
     # via emmet-core
 rpds-py==0.20.0
     # via
@@ -578,7 +578,7 @@ six==1.16.0
     #   patsy
     #   pybtex
     #   python-dateutil
-smart-open==7.0.4
+smart-open==7.0.5
     # via mp-api
 snowballstemmer==2.2.0
     # via pydocstyle
@@ -594,7 +594,7 @@ spglib==2.5.0
     #   seekpath
 sshtunnel==0.4.0
     # via maggma
-statsmodels==0.14.3
+statsmodels==0.14.4
     # via solvation-analysis
 sympy==1.13.3
     # via
@@ -613,7 +613,7 @@ tidynamics==1.1.2
     # via transport-analysis
 tifffile==2024.9.20
     # via scikit-image
-tomli==2.0.1
+tomli==2.0.2
     # via
     #   coverage
     #   mypy
@@ -680,17 +680,17 @@ urllib3==2.2.3
     #   requests
     #   torchdata
     #   types-requests
-virtualenv==20.26.5
+virtualenv==20.26.6
     # via pre-commit
-watchdog==5.0.2
+watchdog==5.0.3
     # via mkdocs
-wcmatch==9.0
+wcmatch==10.0
     # via mkdocs-awesome-pages-plugin
 wincertstore==0.2.1
     # via emmet-builders (setup.py)
 wrapt==1.16.0
     # via smart-open
-yarl==1.12.1
+yarl==1.13.1
     # via aiohttp
 
 # The following packages are considered to be unsafe in a requirements file:

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/requirements/ubuntu-latest_py3.11.txt

@@ -19,9 +19,9 @@ attrs==24.2.0
     #   referencing
 bcrypt==4.2.0
     # via paramiko
-boto3==1.35.26
+boto3==1.35.34
     # via maggma
-botocore==1.35.26
+botocore==1.35.34
     # via
     #   boto3
     #   s3transfer
@@ -39,7 +39,7 @@ cryptography==43.0.1
     # via paramiko
 cycler==0.12.1
     # via matplotlib
-dnspython==2.6.1
+dnspython==2.7.0
     # via
     #   maggma
     #   pymongo
@@ -53,7 +53,7 @@ fonttools==4.54.1
     # via matplotlib
 griddataformats==1.0.2
     # via mdanalysis
-h5py==3.11.0
+h5py==3.12.1
     # via phonopy
 idna==3.10
     # via requests
@@ -86,13 +86,13 @@ latexcodec==3.0.0
     # via pybtex
 lazy-loader==0.4
     # via scikit-image
-maggma==0.69.3
+maggma==0.69.4
     # via
     #   emmet-builders (setup.py)
     #   mp-api
 matcalc==0.0.4
     # via emmet-core
-matminer==0.9.2
+matminer==0.9.3
     # via
     #   emmet-builders (setup.py)
     #   robocrys
@@ -236,7 +236,7 @@ pydantic-settings==2.5.2
     #   maggma
 pydash==8.0.3
     # via maggma
-pymatgen==2024.9.17.1
+pymatgen==2024.10.3
     # via
     #   emmet-core
     #   matcalc
@@ -253,7 +253,7 @@ pymatgen-analysis-defects==2024.7.19
     # via emmet-core
 pymatgen-analysis-diffusion==2024.7.15
     # via emmet-core
-pymongo==4.9.1
+pymongo==4.10.1
     # via
     #   maggma
     #   matminer
@@ -292,7 +292,7 @@ requests==2.32.3
     #   matminer
     #   mp-api
     #   pymatgen
-robocrys==0.2.9
+robocrys==0.2.10
     # via emmet-core
 rpds-py==0.20.0
     # via
@@ -335,7 +335,7 @@ six==1.16.0
     #   patsy
     #   pybtex
     #   python-dateutil
-smart-open==7.0.4
+smart-open==7.0.5
     # via mp-api
 solvation-analysis==0.4.1
     # via
@@ -349,7 +349,7 @@ spglib==2.5.0
     #   seekpath
 sshtunnel==0.4.0
     # via maggma
-statsmodels==0.14.3
+statsmodels==0.14.4
     # via solvation-analysis
 sympy==1.13.3
     # via

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/requirements/ubuntu-latest_py3.11_extras.txt

@@ -4,9 +4,9 @@
 #
 #    pip-compile --all-extras --output-file=requirements/ubuntu-latest_py3.11_extras.txt
 #
-aiohappyeyeballs==2.4.0
+aiohappyeyeballs==2.4.3
     # via aiohttp
-aiohttp==3.10.6
+aiohttp==3.10.9
     # via fsspec
 aioitertools==0.12.0
     # via maggma
@@ -28,13 +28,13 @@ attrs==24.2.0
     #   referencing
 bcrypt==4.2.0
     # via paramiko
-boto3==1.35.26
+boto3==1.35.34
     # via maggma
-botocore==1.35.26
+botocore==1.35.34
     # via
     #   boto3
     #   s3transfer
-bracex==2.5
+bracex==2.5.post1
     # via wcmatch
 certifi==2024.8.30
     # via requests
@@ -72,7 +72,7 @@ dgl==2.1.0
     #   matgl
 distlib==0.3.8
     # via virtualenv
-dnspython==2.6.1
+dnspython==2.7.0
     # via
     #   maggma
     #   pymongo
@@ -104,9 +104,9 @@ ghp-import==2.1.0
     # via mkdocs
 griddataformats==1.0.2
     # via mdanalysis
-griffe==1.3.1
+griffe==1.3.2
     # via mkdocstrings-python
-h5py==3.11.0
+h5py==3.12.1
     # via phonopy
 htmlmin2==0.1.13
     # via mkdocs-minify-plugin
@@ -163,7 +163,7 @@ lightning-utilities==0.11.7
     #   torchmetrics
 livereload==2.7.0
     # via emmet-builders (setup.py)
-maggma==0.69.3
+maggma==0.69.4
     # via
     #   emmet-builders (setup.py)
     #   mp-api
@@ -184,7 +184,7 @@ matcalc==0.0.4
     # via emmet-core
 matgl==1.1.3
     # via emmet-core
-matminer==0.9.2
+matminer==0.9.3
     # via
     #   emmet-builders (setup.py)
     #   robocrys
@@ -353,7 +353,7 @@ nvidia-ml-py3==7.352.0
     # via chgnet
 nvidia-nccl-cu12==2.20.5
     # via torch
-nvidia-nvjitlink-cu12==12.6.68
+nvidia-nvjitlink-cu12==12.6.77
     # via
     #   nvidia-cusolver-cu12
     #   nvidia-cusparse-cu12
@@ -411,7 +411,7 @@ plotly==5.24.1
     #   solvation-analysis
 pluggy==1.5.0
     # via pytest
-pre-commit==3.8.0
+pre-commit==4.0.0
     # via emmet-builders (setup.py)
 psutil==6.0.0
     # via dgl
@@ -448,7 +448,7 @@ pyflakes==3.2.0
     # via flake8
 pygments==2.18.0
     # via mkdocs-material
-pymatgen==2024.9.17.1
+pymatgen==2024.10.3
     # via
     #   chgnet
     #   emmet-core
@@ -467,11 +467,11 @@ pymatgen-analysis-defects==2024.7.19
     # via emmet-core
 pymatgen-analysis-diffusion==2024.7.15
     # via emmet-core
-pymdown-extensions==10.10.1
+pymdown-extensions==10.11.2
     # via
     #   mkdocs-material
     #   mkdocstrings
-pymongo==4.9.1
+pymongo==4.10.1
     # via
     #   maggma
     #   matminer
@@ -530,7 +530,7 @@ requests==2.32.3
     #   mp-api
     #   pymatgen
     #   torchdata
-robocrys==0.2.9
+robocrys==0.2.10
     # via emmet-core
 rpds-py==0.20.0
     # via
@@ -574,7 +574,7 @@ six==1.16.0
     #   patsy
     #   pybtex
     #   python-dateutil
-smart-open==7.0.4
+smart-open==7.0.5
     # via mp-api
 snowballstemmer==2.2.0
     # via pydocstyle
@@ -590,7 +590,7 @@ spglib==2.5.0
     #   seekpath
 sshtunnel==0.4.0
     # via maggma
-statsmodels==0.14.3
+statsmodels==0.14.4
     # via solvation-analysis
 sympy==1.13.3
     # via
@@ -670,17 +670,17 @@ urllib3==2.2.3
     #   requests
     #   torchdata
     #   types-requests
-virtualenv==20.26.5
+virtualenv==20.26.6
     # via pre-commit
-watchdog==5.0.2
+watchdog==5.0.3
     # via mkdocs
-wcmatch==9.0
+wcmatch==10.0
     # via mkdocs-awesome-pages-plugin
 wincertstore==0.2.1
     # via emmet-builders (setup.py)
 wrapt==1.16.0
     # via smart-open
-yarl==1.12.1
+yarl==1.13.1
     # via aiohttp
 
 # The following packages are considered to be unsafe in a requirements file:

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/tests/test_elasticity.py

@@ -33,7 +33,7 @@ def test_elasticity_builder(tasks_store, materials_store, elasticity_store):
     builder.run()
 
     assert elasticity_store.count() == 6
-    assert elasticity_store.count({"deprecated": False}) == 6
+    assert elasticity_store.count({"deprecated": False}) == 2
 
 
 def test_serialization(tmpdir):

{emmet-builders-0.84.3rc0 → emmet-builders-0.84.3rc2}/tests/test_utils.py

@@ -68,7 +68,9 @@ def test_get_potcar_stats(method: str, tmp_path):
     try:
         potcar_stats = get_potcar_stats(method=method)
     except Exception as exc:
-        if "No POTCAR for" in str(exc):
+        if any(
+            exc_str in str(exc) for exc_str in ("Set PMG_VASP_PSP_DIR", "No POTCAR for")
+        ):
             # No Potcar library available, skip test
             return
         else: