fix: setting lower bound of spglib

pyproject.toml

@@ -32,7 +32,7 @@ requires-python = ">=3.11"
 dependencies = [
   "dask>=2022.1.0",
   "essreduce>=25.12.1",
-  "graphviz",
+  "graphviz>=0.20",
   "numpy>=1.25",
   "plopp>=25.07.0",
   "pythreejs>=2.4.1",
@@ -42,7 +42,10 @@ dependencies = [
   "scippnexus>=23.12.0",
   "tof>=25.11.1",
   "ncrystal[cif]>=4.1.0",
-  "spglib!=2.7",  # https://github.com/mctools/ncrystal/issues/320
+  # For some reason the spglib lower bound
+  # in ncrystal is not picked up by uv,
+  # so it's repeated here.
+  "spglib!=2.7,>=2.1",  # https://github.com/mctools/ncrystal/issues/320
 ]
 
 dynamic = ["version"]

requirements/base.in

@@ -4,13 +4,14 @@
 # The following was generated by 'tox -e deps', DO NOT EDIT MANUALLY!
 dask>=2022.1.0
 essreduce>=25.12.1
-graphviz
+graphviz>=0.20
 numpy>=1.25
 plopp>=25.07.0
 pythreejs>=2.4.1
 sciline>=25.04.1
-scipp>=25.05.1
+scipp>=25.11.0
 scippneutron>=25.02.0
 scippnexus>=23.12.0
 tof>=25.11.1
 ncrystal[cif]>=4.1.0
+spglib!=2.7,>=2.1

requirements/base.txt

@@ -1,4 +1,4 @@
-# SHA1:211d5471bcbe9da722143b751c4a5cb05f6e5be4
+# SHA1:39146ec15679aababaabd1983003728c83364b0c
 #
 # This file was generated by pip-compile-multi.
 # To update, run:
@@ -7,11 +7,11 @@
 #
 annotated-types==0.7.0
     # via pydantic
-ase==3.26.0
+ase==3.27.0
     # via ncrystal
 asttokens==3.0.1
     # via stack-data
-certifi==2025.11.12
+certifi==2026.1.4
     # via requests
 charset-normalizer==3.4.4
     # via requests
@@ -27,19 +27,19 @@ cyclebane==24.10.0
     # via sciline
 cycler==0.12.1
     # via matplotlib
-dask==2025.11.0
+dask==2025.12.0
     # via -r base.in
 decorator==5.2.1
     # via ipython
 dnspython==2.8.0
     # via email-validator
 email-validator==2.3.0
     # via scippneutron
-essreduce==25.12.1
+essreduce==26.1.0
     # via -r base.in
 executing==2.2.1
     # via stack-data
-fonttools==4.61.0
+fonttools==4.61.1
     # via matplotlib
 fsspec==2025.12.0
     # via dask
@@ -55,11 +55,11 @@ idna==3.11
     # via
     #   email-validator
     #   requests
-importlib-metadata==8.7.0
+importlib-metadata==8.7.1
     # via dask
 ipydatawidgets==4.3.5
     # via pythreejs
-ipython==9.8.0
+ipython==9.9.0
     # via ipywidgets
 ipython-pygments-lexers==1.1.1
     # via ipython
@@ -80,7 +80,7 @@ lazy-loader==0.4
     #   tof
 locket==1.0.0
     # via partd
-matplotlib==3.10.7
+matplotlib==3.10.8
     # via
     #   ase
     #   mpltoolbox
@@ -97,7 +97,7 @@ ncrystal-python==4.2.10
     # via ncrystal
 networkx==3.6.1
     # via cyclebane
-numpy==2.3.5
+numpy==2.4.0
     # via
     #   -r base.in
     #   ase
@@ -123,7 +123,7 @@ partd==1.4.2
     # via dask
 pexpect==4.9.0
     # via ipython
-pillow==12.0.0
+pillow==12.1.0
     # via matplotlib
 platformdirs==4.5.1
     # via pooch
@@ -148,7 +148,7 @@ pygments==2.19.2
     # via
     #   ipython
     #   ipython-pygments-lexers
-pyparsing==3.2.5
+pyparsing==3.3.1
     # via matplotlib
 python-dateutil==2.9.0.post0
     # via
@@ -188,7 +188,9 @@ scipy==1.16.3
 six==1.17.0
     # via python-dateutil
 spglib==2.6.0
-    # via ncrystal
+    # via
+    #   -r base.in
+    #   ncrystal
 stack-data==0.6.3
     # via ipython
 tof==25.12.1
@@ -215,7 +217,7 @@ typing-extensions==4.15.0
     #   typing-inspection
 typing-inspection==0.4.2
     # via pydantic
-urllib3==2.6.1
+urllib3==2.6.2
     # via requests
 wcwidth==0.2.14
     # via prompt-toolkit

requirements/basetest.txt

@@ -7,7 +7,7 @@
 #
 asttokens==3.0.1
     # via stack-data
-certifi==2025.11.12
+certifi==2026.1.4
     # via requests
 charset-normalizer==3.4.4
     # via requests
@@ -21,7 +21,7 @@ idna==3.11
     # via requests
 iniconfig==2.3.0
     # via pytest
-ipython==9.8.0
+ipython==9.9.0
     # via ipywidgets
 ipython-pygments-lexers==1.1.1
     # via ipython
@@ -33,7 +33,7 @@ jupyterlab-widgets==3.0.16
     # via ipywidgets
 matplotlib-inline==0.2.1
     # via ipython
-numpy==2.3.5
+numpy==2.4.0
     # via pandas
 packaging==25.0
     # via
@@ -81,9 +81,9 @@ traitlets==5.14.3
     #   matplotlib-inline
 typing-extensions==4.15.0
     # via ipython
-tzdata==2025.2
+tzdata==2025.3
     # via pandas
-urllib3==2.6.1
+urllib3==2.6.2
     # via requests
 wcwidth==0.2.14
     # via prompt-toolkit

requirements/ci.txt

@@ -5,9 +5,9 @@
 #
 #    requirements upgrade
 #
-cachetools==6.2.2
+cachetools==6.2.4
     # via tox
-certifi==2025.11.12
+certifi==2026.1.4
     # via requests
 chardet==5.2.0
     # via tox
@@ -17,13 +17,13 @@ colorama==0.4.6
     # via tox
 distlib==0.4.0
     # via virtualenv
-filelock==3.20.0
+filelock==3.20.2
     # via
     #   tox
     #   virtualenv
 gitdb==4.0.12
     # via gitpython
-gitpython==3.1.45
+gitpython==3.1.46
     # via -r ci.in
 idna==3.11
     # via requests
@@ -44,9 +44,9 @@ requests==2.32.5
     # via -r ci.in
 smmap==5.0.2
     # via gitdb
-tox==4.32.0
+tox==4.33.0
     # via -r ci.in
-urllib3==2.6.1
+urllib3==2.6.2
     # via requests
 virtualenv==20.35.4
     # via tox

requirements/dev.txt

@@ -44,7 +44,7 @@ isoduration==20.11.0
     # via jsonschema
 jinja2-ansible-filters==1.3.2
     # via copier
-json5==0.12.1
+json5==0.13.0
     # via jupyterlab-server
 jsonpointer==3.0.0
     # via jsonschema
@@ -65,7 +65,7 @@ jupyter-server==2.17.0
     #   notebook-shim
 jupyter-server-terminals==0.5.3
     # via jupyter-server
-jupyterlab==4.5.0
+jupyterlab==4.5.1
     # via -r dev.in
 jupyterlab-server==2.28.0
     # via jupyterlab
@@ -99,7 +99,7 @@ rfc3986-validator==0.1.1
     #   jupyter-events
 rfc3987-syntax==1.1.0
     # via jsonschema
-send2trash==1.8.3
+send2trash==2.0.0
     # via jupyter-server
 terminado==0.18.1
     # via

requirements/docs.txt

@@ -26,7 +26,7 @@ beautifulsoup4==4.14.3
     #   pydata-sphinx-theme
 bleach[css]==6.3.0
     # via nbconvert
-debugpy==1.8.17
+debugpy==1.8.19
     # via ipykernel
 defusedxml==0.7.1
     # via nbconvert
@@ -83,11 +83,11 @@ mdit-py-plugins==0.5.0
     # via myst-parser
 mdurl==0.1.2
     # via markdown-it-py
-mistune==3.1.4
+mistune==3.2.0
     # via nbconvert
 myst-parser==4.0.1
     # via -r docs.in
-nbclient==0.10.2
+nbclient==0.10.4
     # via nbconvert
 nbconvert==7.16.6
     # via nbsphinx
@@ -104,7 +104,7 @@ pandas==2.3.3
     # via -r docs.in
 pandocfilters==1.5.1
     # via nbconvert
-psutil==7.1.3
+psutil==7.2.1
     # via ipykernel
 pyarrow==22.0.0
     # via -r docs.in
@@ -130,15 +130,17 @@ referencing==0.37.0
     # via
     #   jsonschema
     #   jsonschema-specifications
-roman-numerals-py==3.1.0
+roman-numerals==4.1.0
+    # via roman-numerals-py
+roman-numerals-py==4.1.0
     # via sphinx
 rpds-py==0.30.0
     # via
     #   jsonschema
     #   referencing
 snowballstemmer==3.0.1
     # via sphinx
-soupsieve==2.8
+soupsieve==2.8.1
     # via beautifulsoup4
 sphinx==8.2.3
     # via
@@ -173,11 +175,11 @@ sphinxcontrib-serializinghtml==2.0.0
     # via sphinx
 tinycss2==1.4.0
     # via bleach
-tornado==6.5.2
+tornado==6.5.4
     # via
     #   ipykernel
     #   jupyter-client
-tzdata==2025.2
+tzdata==2025.3
     # via pandas
 webencodings==0.5.1
     # via

requirements/mypy.txt

@@ -6,9 +6,9 @@
 #    requirements upgrade
 #
 -r test.txt
-librt==0.7.3
+librt==0.7.7
     # via mypy
-mypy==1.19.0
+mypy==1.19.1
     # via -r mypy.in
 mypy-extensions==1.1.0
     # via mypy

requirements/nightly.in

@@ -2,10 +2,11 @@
 # --- END OF CUSTOM SECTION ---
 # The following was generated by 'tox -e deps', DO NOT EDIT MANUALLY!
 dask>=2022.1.0
-graphviz
+graphviz>=0.20
 numpy>=1.25
 pythreejs>=2.4.1
 ncrystal[cif]>=4.1.0
+spglib!=2.7,>=2.1
 pandas>=2.1.2
 pooch>=1.5
 pytest>=7.0