torchani/resources Git assume-unchanged (#580)

* assume-unchanged

* fix

* fix cuda ci

.github/workflows/cuda.yml

@@ -35,9 +35,15 @@ jobs:
       run: |
         source ci/install_cuda.sh
         echo "CUDA_HOME=${CUDA_HOME}" >> $GITHUB_ENV
+        echo "LD_LIBRARY_PATH=${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}" >> $GITHUB_ENV
+        echo "PATH=${CUDA_HOME}/bin:$PATH" >> $GITHUB_ENV
     - name: Install dependencies
       run: ci/install_dependencies.sh
     - name: Install TorchANI
-      run: echo $CUDA_HOME; python setup.py install --cuaev --only-sm80
+      run: |
+        echo $CUDA_HOME
+        echo $LD_LIBRARY_PATH
+        nvcc -V
+        python setup.py install --cuaev --only-sm80
     - name: Run cuaev test
       run: pytest tests/test_cuaev.py -v

torchani/resources/README.md

@@ -3,3 +3,11 @@
 Please note that ANI2x, and ANI1ccx model parameters have been move to https://github.com/aiqm/ani-model-zoo in an effort to reduce the size of TorchANI for deployment.
 
 These parameters will be automatically downloaded once the Built-in classes are called.
+
+
+### TIPs for Developers
+After the parameters are downloaded, git tracked files got modefied. You could run the following command to ignore these changes:
+```bash
+git update-index --assume-unchanged $(git ls-files | tr '\n' ' ')
+```
+or ignore changes by the provided script `./assume-unchanged`  and `./no-assume-unchanged` to change it back
\ No newline at end of file

torchani/resources/assume-unchanged

+#!/bin/bash
+git update-index --assume-unchanged $(git ls-files | tr '\n' ' ')
\ No newline at end of file

torchani/resources/no-assume-unchanged

+#!/bin/bash
+git update-index --no-assume-unchanged $(git ls-files | tr '\n' ' ')
\ No newline at end of file