General: Froze requirements

Author: Somerandomguy10111

pyproject.toml

@@ -11,22 +11,23 @@ authors = [{ name = "Daniel Hollarek", email = "[email protected]"
 license = { file = "LICENSE.txt" }
 urls = { Homepage = "https://github.com/aimat-lab/xrdpattern" }
 dependencies = [
-    "numpy < 2.0.0",
-    "scipy",
-    "matplotlib",
-    "pymatgen",
-    "torch",
-    "gemmi",
-    "pandas",
-    "tensordict",
-    "orjson",
-    "openpyxl",
-    "pathvalidate",
-    "progressbar2",
-    "distlib"
+    "numpy==1.26.4",
+    "scipy==1.15.1",
+    "matplotlib==3.10.0",
+    "pymatgen==2024.8.9",
+    "torch==2.6.0",
+    "gemmi==0.7.0",
+    "pandas==2.2.3",
+    "tensordict==0.7.0",
+    "orjson==3.10.15",
+    "openpyxl==3.1.5",
+    "pathvalidate==3.2.3",
+    "progressbar2==4.5.0",
+    "distlib==0.3.9"
 ]
 
 
+
 [tool.deptry.per_rule_ignores]
 DEP002 = ["openpyxl"]
 DEP001 = ["mpl_toolkits", "xylib"]

reqs.txt

@@ -0,0 +1,142 @@
+ase==3.24.0
+asttokens==3.0.0
+attrs==25.3.0
+backcall==0.2.0
+beautifulsoup4==4.13.4
+bleach==6.2.0
+build==1.2.2.post1
+cachetools==5.5.1
+certifi==2025.1.31
+cffi==1.17.1
+chardet==5.2.0
+charset-normalizer==3.4.1
+click==8.1.8
+cloudpickle==3.1.1
+colorama==0.4.6
+contourpy==1.3.1
+cryptoalgos==0.1.0
+cryptography==44.0.0
+cycler==0.12.1
+decorator==5.2.1
+defusedxml==0.7.1
+deptry==0.23.0
+dill==0.3.9
+distlib==0.3.9
+docopt==0.6.2
+et_xmlfile==2.0.0
+evdev==1.8.0
+executing==2.2.0
+fastjsonschema==2.21.1
+filelock==3.17.0
+fonttools==4.55.8
+fsspec==2025.2.0
+gemmi==0.7.0
+holytools==0.9.16
+idna==3.10
+ipython==8.12.3
+jedi==0.19.2
+jeepney==0.8.0
+Jinja2==3.1.5
+joblib==1.4.2
+jsonschema==4.23.0
+jsonschema-specifications==2024.10.1
+jupyter_client==8.6.3
+jupyter_core==5.7.2
+jupyterlab_pygments==0.3.0
+kiwisolver==1.4.8
+latexcodec==3.0.0
+MarkupSafe==3.0.2
+matplotlib==3.10.0
+matplotlib-inline==0.1.7
+mistune==3.1.3
+monty==2025.1.9
+mpmath==1.3.0
+mss==10.0.0
+narwhals==1.25.2
+nbclient==0.10.2
+nbconvert==7.16.6
+nbformat==5.10.4
+networkx==3.4.2
+numpy==1.26.4
+nvidia-cublas-cu12==12.4.5.8
+nvidia-cuda-cupti-cu12==12.4.127
+nvidia-cuda-nvrtc-cu12==12.4.127
+nvidia-cuda-runtime-cu12==12.4.127
+nvidia-cudnn-cu12==9.1.0.70
+nvidia-cufft-cu12==11.2.1.3
+nvidia-curand-cu12==10.3.5.147
+nvidia-cusolver-cu12==11.6.1.9
+nvidia-cusparse-cu12==12.3.1.170
+nvidia-cusparselt-cu12==0.6.2
+nvidia-nccl-cu12==2.21.5
+nvidia-nvjitlink-cu12==12.4.127
+nvidia-nvtx-cu12==12.4.127
+openpyxl==3.1.5
+orjson==3.10.15
+packaging==24.2
+palettable==3.3.3
+pandas==2.2.3
+pandocfilters==1.5.1
+parso==0.8.4
+pathvalidate==3.2.3
+pexpect==4.9.0
+pickleshare==0.7.5
+pillow==11.1.0
+pipreqs==0.5.0
+platformdirs==4.3.6
+plotly==6.0.0
+pluggy==1.5.0
+progressbar2==4.5.0
+prompt_toolkit==3.0.51
+psutil==6.1.1
+ptyprocess==0.7.0
+pure_eval==0.2.3
+pybtex==0.24.0
+pycparser==2.22
+Pygments==2.19.1
+pymatgen==2024.8.9
+Pympler==1.1
+pynput==1.7.7
+pyparsing==3.2.1
+pyproject-api==1.9.0
+pyproject_hooks==1.2.0
+python-dateutil==2.9.0.post0
+python-utils==3.9.1
+python-xlib==0.33
+pytz==2025.1
+PyYAML==6.0.2
+pyzmq==26.4.0
+referencing==0.36.2
+requests==2.32.3
+requirements-parser==0.11.0
+rpds-py==0.24.0
+ruamel.yaml==0.18.10
+ruamel.yaml.clib==0.2.12
+scipy==1.15.1
+screeninfo==0.8.1
+seaborn==0.13.2
+SecretStorage==3.3.3
+setuptools==75.8.0
+six==1.17.0
+soupsieve==2.6
+spglib==2.5.0
+stack-data==0.6.3
+sympy==1.13.1
+tabulate==0.9.0
+tensordict==0.7.0
+tinycss2==1.4.0
+torch==2.6.0
+tornado==6.4.2
+tox==4.24.1
+tqdm==4.67.1
+traitlets==5.14.3
+triton==3.2.0
+types-setuptools==75.8.0.20250110
+typing_extensions==4.12.2
+tzdata==2025.1
+uncertainties==3.2.2
+urllib3==2.3.0
+virtualenv==20.29.1
+wcwidth==0.2.13
+webencodings==0.5.1
+yarg==0.1.9