updated build system for readthedocs compatability (#23)

added pip options to top of requirements files
wolearyc · Sep 16, 2024 · ad77668 · ad77668
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commit ad77668
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Showing 6 changed files with 10 additions and 5 deletions.
diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml
@@ -29,8 +29,8 @@ jobs:
         pip install uv
         uv pip install ${{ matrix.uv-arg }} --system -r deps/requirements.txt
         uv pip install ${{ matrix.uv-arg }} --system -r deps/torch_geometric_requirements.txt
-        uv pip install ${{ matrix.uv-arg }} --system -r deps/torch_requirements.txt  --index-url https://download.pytorch.org/whl/cpu
-        uv pip install ${{ matrix.uv-arg }} --system --no-index -r deps/torch_extra_requirements.txt -f https://data.pyg.org/whl/torch-2.4.0+cpu.html
+        uv pip install ${{ matrix.uv-arg }} --system -r deps/torch_requirements.txt
+        uv pip install ${{ matrix.uv-arg }} --system --no-index -r deps/torch_extra_requirements.txt
     - name: Analyzing the code with pylint
       if: ${{ matrix.os != 'windows-latest' }} # Windows throws strange linting errors
       run: |

diff --git a/.readthedocs.yaml b/.readthedocs.yaml
@@ -8,7 +8,10 @@ build:
 python:
   install:
     - requirements: docs/requirements.txt
-    - requirements: requirements.txt
+    - requirements: deps/requirements.txt
+    - requirements: deps/torch_requirements.txt
+    - requirements: deps/torch_geometric_requirements.txt
+    - requirements: deps/torch_extra_requirements.txt
 
 sphinx:
   configuration: docs/source/conf.py
diff --git a/deps/requirements.txt b/deps/requirements.txt
@@ -20,4 +20,4 @@ spglib >= 1.16.4;python_version=='3.12' # minimum working
 tabulate >= 0.8.8;python_version=='3.10' # minimum working
 tabulate >= 0.8.8;python_version=='3.11' # minimum working
 tabulate >= 0.8.8;python_version=='3.12' # minimum working
-tqdm
+tqdm >= 2.0
diff --git a/deps/torch_extra_requirements.txt b/deps/torch_extra_requirements.txt
@@ -1,2 +1,3 @@
+-f https://data.pyg.org/whl/torch-2.4.0+cpu.html
 torch-scatter
 torch-sparse
diff --git a/deps/torch_requirements.txt b/deps/torch_requirements.txt
@@ -1,3 +1,4 @@
+--index-url https://download.pytorch.org/whl/cpu
 torch==2.4.1;sys_platform=="darwin"
 torch==2.4.1+cpu;sys_platform=="linux"
 torch==2.4.1+cpu;sys_platform=="win32"
diff --git a/ramannoodle/io/io_utils.py b/ramannoodle/io/io_utils.py
@@ -121,7 +121,7 @@ def _read_polarizability_dataset(
     atomic_numbers_list: list[list[int]] = []
     positions_list: list[NDArray[np.float64]] = []
     polarizabilities: list[NDArray[np.float64]] = []
-    for file_index, filepath in tqdm(list(enumerate(filepaths)), unit="files"):
+    for file_index, filepath in tqdm(list(enumerate(filepaths)), unit=" files"):
         lattice, atomic_numbers, positions, polarizability = (
             read_structure_and_polarizability_fn(filepath)
         )