Make boltztrap optional (#517)

* make boltztrap2 optional with ifermi deps

* raise error in fermi surface plotting if no ifermi

* remove bolztrap from deps

* unpin lychee url check ver

* move ifermi import check to init

* pin dash<4

* pin dash<5

* add note about dash pin

Author: esoteric-ephemera

.github/workflows/url-check.yml

@@ -14,7 +14,7 @@ jobs:
         uses: actions/checkout@v3
 
       - name: Check for broken links
-        uses: lycheeverse/lychee-action@v2.0.2
+        uses: lycheeverse/lychee-action@v2
         with:
           # --exclude-loopback ensures we don't check localhost URLs
           args: --exclude-loopback './**/*.md' './**/*.rst'

crystal_toolkit/components/fermi_surface.py

@@ -1,7 +1,6 @@
 from __future__ import annotations
 
 import typing
-from importlib import import_module
 
 import matplotlib.pyplot as plt
 from dash import Input, Output
@@ -14,6 +13,11 @@
     from ifermi.surface import FermiSurface
     from plotly.graph_objects import Figure
 
+try:
+    import ifermi.plot as fermi_module
+except ImportError:
+    fermi_module = None
+
 
 class FermiSurfaceComponent(MPComponent):
     """Component to display FermiSurface objects generated from ifermi.
@@ -31,6 +35,11 @@ def __init__(
         id: str | None = None,
         **kwargs,
     ) -> None:
+        if fermi_module is None:
+            raise ImportError(
+                "`ifermi` must be installed to use the Fermi "
+                "surface `crystal_toolkit` component."
+            )
         super().__init__(id=id, default_data=fermi_surface, **kwargs)
 
     @staticmethod
@@ -44,7 +53,6 @@ def get_figure(fermi_surface: FermiSurface, **kwargs) -> Figure:
         Returns:
             A plotly Figure object.
         """
-        fermi_module = import_module("ifermi.plot")
         plotter = fermi_module.FermiSurfacePlotter(fermi_surface)
         fig = plotter.get_plot(plot_type="plotly", **kwargs)
 

pyproject.toml

@@ -12,7 +12,7 @@ authors = [{ name = "Matt Horton", email = "mkhorton@lbl.gov" }]
 
 dependencies = [
   "dash-mp-components>=0.5.1rc5,<0.5.2",
-  "dash>=2.11.0",
+  "dash>=2.11.0,<4.0.0", # Issue in dash==4.0.0 with multi-select drop down: https://community.plotly.com/t/multi-select-dropdown-options-do-not-update-correct-when-labels-have-html-component-in-dash-4-0-0/96495
   "flask-caching",
   "frozendict",
   "mp-api",
@@ -23,14 +23,17 @@ dependencies = [
   "shapely",
   "webcolors",
   "ipython",
-  "boltztrap2<25.11.1", # compilation issue when installing via pip
 ]
 
 [project.optional-dependencies]
 server = ["dash-extensions", "gunicorn[gevent]", "habanero", "hiphive", "redis"]
 robocrys = ["robocrys"]
 temdiff = ["py4DSTEM>=0.13.11"]
-fermi = ["ifermi", "pyfftw"]
+fermi = [
+  "ifermi",
+  "pyfftw",
+  "boltztrap2<25.11.1", # compilation issue when installing via pip
+]
 phonon = ["phonopy"]
 vtk = ["dash-vtk"]
 localenv = ["dscribe"]

requirements/ubuntu-latest_py3.11.txt

@@ -6,69 +6,59 @@
 #
 annotated-types==0.7.0
     # via pydantic
-ase==3.27.0
-    # via boltztrap2
 asttokens==3.0.1
     # via stack-data
-bibtexparser==1.4.3
+bibtexparser==1.4.4
     # via pymatgen
 blake3==1.0.8
     # via emmet-core
 blinker==1.9.0
     # via flask
-boltztrap2==25.3.1
-    # via crystal_toolkit (pyproject.toml)
-boto3==1.42.33
+boto3==1.42.68
     # via mp-api
-botocore==1.42.33
+botocore==1.42.68
     # via
     #   boto3
     #   s3transfer
 cachelib==0.13.0
     # via flask-caching
-certifi==2026.1.4
-    # via
-    #   netcdf4
-    #   requests
-cftime==1.6.5
-    # via netcdf4
-charset-normalizer==3.4.4
+certifi==2026.2.25
+    # via requests
+charset-normalizer==3.4.5
     # via requests
 click==8.3.1
     # via flask
 contourpy==1.3.3
     # via matplotlib
 cycler==0.12.1
     # via matplotlib
-cython==3.2.4
-    # via boltztrap2
 dash==3.4.0
     # via crystal_toolkit (pyproject.toml)
 dash-mp-components==0.5.1rc5
     # via crystal_toolkit (pyproject.toml)
 decorator==5.2.1
     # via ipython
-emmet-core==0.86.2
+emmet-core==0.86.3
     # via mp-api
 executing==2.2.1
     # via stack-data
-flask==3.1.2
+flask==3.1.3
     # via
     #   dash
     #   flask-caching
 flask-caching==2.3.1
     # via crystal_toolkit (pyproject.toml)
-fonttools==4.61.1
+fonttools==4.62.1
     # via matplotlib
 frozendict==2.4.7
     # via crystal_toolkit (pyproject.toml)
 idna==3.11
     # via requests
-imageio==2.37.2
+imageio==2.37.3
     # via scikit-image
 importlib-metadata==8.7.1
     # via dash
-ipython==9.9.0
+ipython==9.10.0
     # via crystal_toolkit (pyproject.toml)
 ipython-pygments-lexers==1.1.1
     # via ipython
@@ -86,55 +76,44 @@ joblib==1.5.3
     # via
     #   pymatgen
     #   scikit-learn
-kiwisolver==1.4.9
+kiwisolver==1.5.0
     # via matplotlib
 latexcodec==3.0.1
     # via pybtex
-lazy-loader==0.4
+lazy-loader==0.5
     # via scikit-image
 markupsafe==3.0.3
     # via
     #   flask
     #   jinja2
     #   werkzeug
 matplotlib==3.10.8
-    # via
-    #   ase
-    #   boltztrap2
-    #   pymatgen
+    # via pymatgen
 matplotlib-inline==0.2.1
     # via ipython
-monty==2025.3.3
+monty==2026.2.18
     # via
     #   emmet-core
     #   mp-api
     #   pymatgen
-mp-api==0.45.15
+mp-api==0.46.0
     # via crystal_toolkit (pyproject.toml)
 mpmath==1.3.0
     # via sympy
-msgpack==1.1.2
-    # via mp-api
-narwhals==2.15.0
+narwhals==2.18.0
     # via plotly
 nest-asyncio==1.6.0
     # via dash
-netcdf4==1.7.4
-    # via boltztrap2
 networkx==3.6.1
     # via
     #   pymatgen
     #   scikit-image
-numpy==2.4.1
+numpy==2.4.3
     # via
-    #   ase
-    #   boltztrap2
-    #   cftime
     #   contourpy
     #   imageio
     #   matplotlib
     #   monty
-    #   netcdf4
     #   pandas
     #   pymatgen
     #   pymatgen-io-validation
@@ -144,7 +123,7 @@ numpy==2.4.1
     #   shapely
     #   spglib
     #   tifffile
-orjson==3.11.5
+orjson==3.11.7
     # via
     #   mp-api
     #   pymatgen
@@ -156,18 +135,18 @@ packaging==26.0
     #   scikit-image
 palettable==3.3.3
     # via pymatgen
-pandas==3.0.0
+pandas==3.0.1
     # via pymatgen
-parso==0.8.5
+parso==0.8.6
     # via jedi
 pexpect==4.9.0
     # via ipython
-pillow==12.1.0
+pillow==12.1.1
     # via
     #   imageio
     #   matplotlib
     #   scikit-image
-plotly==6.5.2
+plotly==6.6.0
     # via
     #   dash
     #   pymatgen
@@ -186,7 +165,7 @@ pydantic==2.12.5
     #   pymatgen-io-validation
 pydantic-core==2.41.5
     # via pydantic
-pydantic-settings==2.12.0
+pydantic-settings==2.13.1
     # via
     #   crystal_toolkit (pyproject.toml)
     #   emmet-core
@@ -212,7 +191,7 @@ python-dateutil==2.9.0.post0
     #   botocore
     #   matplotlib
     #   pandas
-python-dotenv==1.2.1
+python-dotenv==1.2.2
     # via pydantic-settings
 pyyaml==6.0.3
     # via pybtex
@@ -234,34 +213,28 @@ scikit-image==0.26.0
     # via crystal_toolkit (pyproject.toml)
 scikit-learn==1.8.0
     # via crystal_toolkit (pyproject.toml)
-scipy==1.17.0
+scipy==1.17.1
     # via
-    #   ase
-    #   boltztrap2
     #   pymatgen
     #   scikit-image
     #   scikit-learn
 shapely==2.1.2
     # via crystal_toolkit (pyproject.toml)
 six==1.17.0
     # via python-dateutil
-smart-open==7.5.0
-    # via mp-api
 spglib==2.7.0
-    # via
-    #   boltztrap2
-    #   pymatgen
+    # via pymatgen
 stack-data==0.6.3
     # via ipython
 sympy==1.14.0
     # via pymatgen
-tabulate==0.9.0
+tabulate==0.10.0
     # via pymatgen
 threadpoolctl==3.6.0
     # via scikit-learn
-tifffile==2026.1.14
+tifffile==2026.3.3
     # via scikit-image
-tqdm==4.67.1
+tqdm==4.67.3
     # via pymatgen
 traitlets==5.14.3
     # via
@@ -288,16 +261,14 @@ urllib3==2.6.3
     # via
     #   botocore
     #   requests
-wcwidth==0.3.1
+wcwidth==0.6.0
     # via prompt-toolkit
 webcolors==25.10.0
     # via crystal_toolkit (pyproject.toml)
-werkzeug==3.1.5
+werkzeug==3.1.6
     # via
     #   dash
     #   flask
-wrapt==2.0.1
-    # via smart-open
 zipp==3.23.0
     # via importlib-metadata