support attentions in AlphaFold2

.github/workflows/publish.yml

@@ -5,12 +5,9 @@
 name: Python Package
 
 on:
-  # create:
-  #   tags:
-  #     - '**'
-  push:
-    branch:
-      publish
+  create:
+    tags:
+      - '**'
 
 jobs:
   release:
@@ -112,7 +109,7 @@ jobs:
           export LD_LIBRARY_PATH=/usr/local/nvidia/lib64:/usr/local/cuda/lib64:$LD_LIBRARY_PATH
           export CUDA_INSTALL_DIR=/usr/local/cuda-11.3$CUDA_INSTALL_DIR
           pip install wheel
-          python setup.py bdist_wheel --dist-dir=dist
+          MAX_JOBS=1 python setup.py bdist_wheel --dist-dir=dist
           tmpname=cu${{ matrix.cuda-version }}torch${{ matrix.torch-version }}
           wheel_name=$(ls dist/*whl | xargs -n 1 basename | sed "s/-/+$tmpname-/2")
           ls dist/*whl |xargs -I {} mv {} ${wheel_name}
@@ -127,4 +124,4 @@ jobs:
           upload_url: ${{ steps.get_current_release.outputs.upload_url }}
           asset_path: ./${{env.wheel_name}}
           asset_name: ${{env.wheel_name}}
-          asset_content_type: application/*
+          asset_content_type: application/*

.gitignore

@@ -0,0 +1,125 @@
+*.pt
+*.tfevents.*
+# JetBrains PyCharm IDE
+.idea/
+
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# macOS dir files
+.DS_Store
+
+# Distribution / packaging
+.Python
+env/
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+*.egg-info/
+.installed.args
+*.egg
+
+# Checkpoints
+checkpoints
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+.hypothesis/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# pyenv
+.python-version
+
+# celery beat schedule file
+celerybeat-schedule
+
+# SageMath parsed files
+*.sage.py
+
+# dotenv
+.env
+
+# virtualenv
+.venv
+venv/
+ENV/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mypy
+.mypy_cache/
+
+# VSCODE
+.vscode/ftp-sync.json
+.vscode/settings.json
+
+# too big to git
+*.lmdb
+*.sto
+*.pt
+*.pkl
+
+# pytest
+.pytest_cache
+test/.pytest_cache
+/local*
+/_*