modify requirements, fix CI container (#93)

* modify requirements, fix CI container

* fix format error

* remove torch1.11 kernel cache

* add cache back

Author: Gy-Lu

.github/workflows/build.yml

@@ -14,7 +14,7 @@ jobs:
         contains( github.event.pull_request.labels.*.name, 'Run Build and Test')
     runs-on: [self-hosted, gpu]
     container:
-      image: hpcaitech/colossalai:0.1.10-torch1.11-cu11.3
+      image: hpcaitech/pytorch-cuda:1.12.0-11.3.0
       options: --gpus all --rm -v /data/scratch/fastfold:/data/scratch/fastfold
     timeout-minutes: 40
     steps:
@@ -25,8 +25,9 @@ jobs:
       - name: Install FastFold
         run: |
           [ ! -z "$(ls -A /github/home/fastfold_cache/)" ] && cp -r /github/home/fastfold_cache/* /__w/FastFold/FastFold/
-          pip install biopython==1.79 dm-tree==0.1.6 ml-collections==0.1.0 scipy==1.7.1 pandas pytest
+          pip install -r requirements/requirements.txt
           pip install -e .
+          pip install -r requirements/test_requirements.txt
           cp -r /__w/FastFold/FastFold/build /github/home/fastfold_cache/
           cp /__w/FastFold/FastFold/*.so /github/home/fastfold_cache/
       - name: Unit Testing

requirements.txt

@@ -0,0 +1,3 @@
+einops
+-f https://release.colossalai.org
+colossalai==0.1.10+torch1.12cu11.3

requirements/requirements.txt

@@ -0,0 +1,6 @@
+biopython==1.79
+dm-tree==0.1.6
+ml-collections==0.1.0
+scipy==1.7.1
+pandas
+pytest

requirements/test_requirements.txt

@@ -140,5 +140,5 @@ def cuda_ext_helper(name, sources, extra_cuda_flags):
     ext_modules=ext_modules,
     package_data={'fastfold': ['model/fastnn/kernel/cuda_native/csrc/*']},
     cmdclass={'build_ext': BuildExtension} if ext_modules else {},
-    install_requires=['einops', 'colossalai'],
+    install_requires=['einops'],
 )