Update the test models and CI dependencies (#73)

* Update dependencies

* Downgrade GCC

* Reverse enginier a model generator

* Regenerate the model with PyTorch 1.11

* Update to PyTorch 1.11

* Update to Python 3.10

* Empty line

* Simplify the test models

.github/workflows/CI.yml

@@ -23,22 +23,22 @@ jobs:
       matrix:
         include:
           # Oldest supported versions
-          - name: Linux (CUDA 10.2, Python 3.7, PyTorch 1.7)
+          - name: Linux (CUDA 10.2, Python 3.7, PyTorch 1.11)
             os: ubuntu-18.04
             cuda-version: "10.2.89"
-            gcc-version: "9.4.*"
+            gcc-version: "8.5.*"
             nvcc-version: "10.2"
             python-version: "3.7"
-            pytorch-version: "1.7.*"
+            pytorch-version: "1.11.*"
 
           # Latest supported versions
-          - name: Linux (CUDA 11.2, Python 3.9, PyTorch 1.10)
+          - name: Linux (CUDA 11.2, Python 3.10, PyTorch 1.11)
             os: ubuntu-18.04
             cuda-version: "11.2.2"
-            gcc-version: "11.2.*"
+            gcc-version: "10.3.*"
             nvcc-version: "11.2"
-            python-version: "3.9"
-            pytorch-version: "1.10.*"
+            python-version: "3.10"
+            pytorch-version: "1.11.*"
 
           - name: MacOS (Python 3.9, PyTorch 1.9)
             os: macos-11

tests/generate.py

@@ -0,0 +1,24 @@
+import torch as pt
+
+class Central(pt.nn.Module):
+    def forward(self, pos):
+        return pos.pow(2).sum()
+
+class Forces(pt.nn.Module):
+    def forward(self, pos):
+        return pos.pow(2).sum(), -2 * pos
+
+class Global(pt.nn.Module):
+    def forward(self, pos, k):
+        return k * pos.pow(2).sum()
+
+class Periodic(pt.nn.Module):
+    def forward(self, pos, box):
+        box = box.diagonal().unsqueeze(0)
+        pos = pos - (pos / box).floor() * box
+        return pos.pow(2).sum()
+
+pt.jit.script(Central()).save('central.pt')
+pt.jit.script(Forces()).save('forces.pt')
+pt.jit.script(Global()).save('global.pt')
+pt.jit.script(Periodic()).save('periodic.pt')