Add ability to build out unit cells from CIF files

.github/requirements-3.10.txt

@@ -0,0 +1,47 @@
+# This file was autogenerated by uv via the following command:
+#    uv pip compile --python-version=3.10 pyproject.toml tests/requirements.in
+ase==3.23.0
+    # via -r tests/requirements.in
+contourpy==1.3.1
+    # via matplotlib
+cycler==0.12.1
+    # via matplotlib
+exceptiongroup==1.2.2
+    # via pytest
+fonttools==4.55.3
+    # via matplotlib
+gemmi==0.7.0
+    # via -r tests/requirements.in
+iniconfig==2.0.0
+    # via pytest
+kiwisolver==1.4.7
+    # via matplotlib
+matplotlib==3.10.0
+    # via ase
+numpy==2.2.0
+    # via
+    #   parsnip (pyproject.toml)
+    #   ase
+    #   contourpy
+    #   matplotlib
+    #   scipy
+packaging==24.2
+    # via
+    #   matplotlib
+    #   pytest
+pillow==11.0.0
+    # via matplotlib
+pluggy==1.5.0
+    # via pytest
+pyparsing==3.2.0
+    # via matplotlib
+pytest==8.3.4
+    # via -r tests/requirements.in
+python-dateutil==2.9.0.post0
+    # via matplotlib
+scipy==1.14.1
+    # via ase
+six==1.17.0
+    # via python-dateutil
+tomli==2.2.1
+    # via pytest

.github/requirements-3.11.txt

@@ -0,0 +1,43 @@
+# This file was autogenerated by uv via the following command:
+#    uv pip compile --python-version=3.11 pyproject.toml tests/requirements.in
+ase==3.23.0
+    # via -r tests/requirements.in
+contourpy==1.3.1
+    # via matplotlib
+cycler==0.12.1
+    # via matplotlib
+fonttools==4.55.3
+    # via matplotlib
+gemmi==0.7.0
+    # via -r tests/requirements.in
+iniconfig==2.0.0
+    # via pytest
+kiwisolver==1.4.7
+    # via matplotlib
+matplotlib==3.10.0
+    # via ase
+numpy==2.2.0
+    # via
+    #   parsnip (pyproject.toml)
+    #   ase
+    #   contourpy
+    #   matplotlib
+    #   scipy
+packaging==24.2
+    # via
+    #   matplotlib
+    #   pytest
+pillow==11.0.0
+    # via matplotlib
+pluggy==1.5.0
+    # via pytest
+pyparsing==3.2.0
+    # via matplotlib
+pytest==8.3.4
+    # via -r tests/requirements.in
+python-dateutil==2.9.0.post0
+    # via matplotlib
+scipy==1.14.1
+    # via ase
+six==1.17.0
+    # via python-dateutil

.github/requirements-3.12.txt

@@ -0,0 +1,43 @@
+# This file was autogenerated by uv via the following command:
+#    uv pip compile --python-version=3.12 pyproject.toml tests/requirements.in
+ase==3.23.0
+    # via -r tests/requirements.in
+contourpy==1.3.1
+    # via matplotlib
+cycler==0.12.1
+    # via matplotlib
+fonttools==4.55.3
+    # via matplotlib
+gemmi==0.7.0
+    # via -r tests/requirements.in
+iniconfig==2.0.0
+    # via pytest
+kiwisolver==1.4.7
+    # via matplotlib
+matplotlib==3.10.0
+    # via ase
+numpy==2.2.0
+    # via
+    #   parsnip (pyproject.toml)
+    #   ase
+    #   contourpy
+    #   matplotlib
+    #   scipy
+packaging==24.2
+    # via
+    #   matplotlib
+    #   pytest
+pillow==11.0.0
+    # via matplotlib
+pluggy==1.5.0
+    # via pytest
+pyparsing==3.2.0
+    # via matplotlib
+pytest==8.3.4
+    # via -r tests/requirements.in
+python-dateutil==2.9.0.post0
+    # via matplotlib
+scipy==1.14.1
+    # via ase
+six==1.17.0
+    # via python-dateutil

.github/requirements-3.13.txt

@@ -0,0 +1,43 @@
+# This file was autogenerated by uv via the following command:
+#    uv pip compile --python-version=3.13 pyproject.toml tests/requirements.in
+ase==3.23.0
+    # via -r tests/requirements.in
+contourpy==1.3.1
+    # via matplotlib
+cycler==0.12.1
+    # via matplotlib
+fonttools==4.55.3
+    # via matplotlib
+gemmi==0.7.0
+    # via -r tests/requirements.in
+iniconfig==2.0.0
+    # via pytest
+kiwisolver==1.4.7
+    # via matplotlib
+matplotlib==3.10.0
+    # via ase
+numpy==2.2.0
+    # via
+    #   parsnip (pyproject.toml)
+    #   ase
+    #   contourpy
+    #   matplotlib
+    #   scipy
+packaging==24.2
+    # via
+    #   matplotlib
+    #   pytest
+pillow==11.0.0
+    # via matplotlib
+pluggy==1.5.0
+    # via pytest
+pyparsing==3.2.0
+    # via matplotlib
+pytest==8.3.4
+    # via -r tests/requirements.in
+python-dateutil==2.9.0.post0
+    # via matplotlib
+scipy==1.14.1
+    # via ase
+six==1.17.0
+    # via python-dateutil

.github/requirements-3.6.txt

@@ -0,0 +1,56 @@
+    # manual, required to use __future__ annotations style in py3.6
+ase==3.22.1
+    # via -r tests/requirements.in
+cycler==0.11.0
+    # via matplotlib
+exceptiongroup==0.0.0a0
+    # via pytest
+fonttools==4.27.1
+# This file was MANUALLY MODIFIED based on an initial state generated via the following command:
+#    uv pip compile --python-version=3.7 pyproject.toml tests/requirements.in
+future-annotations==1.0.0
+    # via matplotlib
+gemmi==0.6.3
+    # via -r tests/requirements.in
+importlib-metadata==4.8.3
+    # via
+    #   pluggy
+    #   pytest
+iniconfig==1.1.1
+    # via pytest
+kiwisolver==1.3.1
+    # via matplotlib
+matplotlib==3.3.4
+    # via ase
+numpy==1.19.5
+    # via
+    #   parsnip (pyproject.toml)
+    #   ase
+    #   matplotlib
+    #   scipy
+packaging==21.3
+    # via
+    #   matplotlib
+    #   pytest
+pillow==8.4.0
+    # via matplotlib
+pluggy==1.0.0
+    # via pytest
+pyparsing==3.1.4
+    # via matplotlib
+pytest==7.0.1
+    # via -r tests/requirements.in
+python-dateutil==2.9.0.post0
+    # via matplotlib
+scipy==1.5.4
+    # via ase
+six==1.17.0
+    # via python-dateutil
+tomli==1.2.3
+    # via pytest
+typing-extensions==4.1.1
+    # via
+    #   importlib-metadata
+    #   kiwisolver
+zipp==3.6.0
+    # via importlib-metadata

.github/requirements-3.7.txt

@@ -0,0 +1,54 @@
+# This file was autogenerated by uv via the following command:
+#    uv pip compile --python-version=3.7 pyproject.toml tests/requirements.in
+ase==3.22.1
+    # via -r tests/requirements.in
+cycler==0.11.0
+    # via matplotlib
+exceptiongroup==1.2.2
+    # via pytest
+fonttools==4.38.0
+    # via matplotlib
+gemmi==0.6.7
+    # via -r tests/requirements.in
+importlib-metadata==6.7.0
+    # via
+    #   pluggy
+    #   pytest
+iniconfig==2.0.0
+    # via pytest
+kiwisolver==1.4.5
+    # via matplotlib
+matplotlib==3.5.3
+    # via ase
+numpy==1.21.6
+    # via
+    #   parsnip (pyproject.toml)
+    #   ase
+    #   matplotlib
+    #   scipy
+packaging==24.0
+    # via
+    #   matplotlib
+    #   pytest
+pillow==9.5.0
+    # via matplotlib
+pluggy==1.2.0
+    # via pytest
+pyparsing==3.1.4
+    # via matplotlib
+pytest==7.4.4
+    # via -r tests/requirements.in
+python-dateutil==2.9.0.post0
+    # via matplotlib
+scipy==1.7.3
+    # via ase
+six==1.17.0
+    # via python-dateutil
+tomli==2.0.1
+    # via pytest
+typing-extensions==4.7.1
+    # via
+    #   importlib-metadata
+    #   kiwisolver
+zipp==3.15.0
+    # via importlib-metadata

.github/requirements-3.8.txt

@@ -0,0 +1,51 @@
+# This file was autogenerated by uv via the following command:
+#    uv pip compile --python-version=3.8 pyproject.toml tests/requirements.in
+ase==3.23.0
+    # via -r tests/requirements.in
+contourpy==1.1.1
+    # via matplotlib
+cycler==0.12.1
+    # via matplotlib
+exceptiongroup==1.2.2
+    # via pytest
+fonttools==4.55.3
+    # via matplotlib
+gemmi==0.7.0
+    # via -r tests/requirements.in
+importlib-resources==6.4.5
+    # via matplotlib
+iniconfig==2.0.0
+    # via pytest
+kiwisolver==1.4.7
+    # via matplotlib
+matplotlib==3.7.5
+    # via ase
+numpy==1.24.4
+    # via
+    #   parsnip (pyproject.toml)
+    #   ase
+    #   contourpy
+    #   matplotlib
+    #   scipy
+packaging==24.2
+    # via
+    #   matplotlib
+    #   pytest
+pillow==10.4.0
+    # via matplotlib
+pluggy==1.5.0
+    # via pytest
+pyparsing==3.1.4
+    # via matplotlib
+pytest==8.3.4
+    # via -r tests/requirements.in
+python-dateutil==2.9.0.post0
+    # via matplotlib
+scipy==1.10.1
+    # via ase
+six==1.17.0
+    # via python-dateutil
+tomli==2.2.1
+    # via pytest
+zipp==3.20.2
+    # via importlib-resources