Commit 47c96afe authored by Gao, Xiang's avatar Gao, Xiang Committed by Farhad Ramezanghorbani
Browse files

Fix dependency in setup.py: `torch-nightly` has been renamed to `torch` (#295)

* Fix dependency in setup.py: `torch-nightly` has been renamed to `torch`

`torch-nightly` has been renamed to `torch`

* Update install_dependencies.sh

* Update install_dependencies_python2.sh

* Update deploy-docs.yml

* Update docs.yml

* Update tools.yml

* Update setup.py

* Update start.rst

* Update runnable_submodules.yml

* Update install_dependencies.sh

* Update install_dependencies_python2.sh

* Update start.rst

* Update README.md

* Update README.md
parent 9639d716
...@@ -27,13 +27,13 @@ TorchANI requires the latest preview version of PyTorch. You can install PyTorch ...@@ -27,13 +27,13 @@ TorchANI requires the latest preview version of PyTorch. You can install PyTorch
```bash ```bash
pip install numpy pip install numpy
pip install torch -f https://download.pytorch.org/whl/nightly/cu100/torch.html pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html
``` ```
If you updated TorchANI, you may also need to update PyTorch: If you updated TorchANI, you may also need to update PyTorch:
```bash ```bash
pip install --upgrade torch -f https://download.pytorch.org/whl/nightly/cu100/torch.html pip install --upgrade --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html
``` ```
After installing the correct PyTorch, you can install TorchANI by: After installing the correct PyTorch, you can install TorchANI by:
......
...@@ -23,7 +23,7 @@ steps: ...@@ -23,7 +23,7 @@ steps:
- script: 'git describe --exact-match --tags HEAD' - script: 'git describe --exact-match --tags HEAD'
displayName: 'Fail build on non-release commits' displayName: 'Fail build on non-release commits'
- script: 'azure/install_dependencies.sh && pip install h5py pytorch-ignite-nightly tb-nightly sphinx sphinx_rtd_theme matplotlib pillow sphinx-gallery && pip install .' - script: 'azure/install_dependencies.sh && pip install h5py pytorch-ignite tb-nightly sphinx sphinx_rtd_theme matplotlib pillow sphinx-gallery && pip install .'
displayName: 'Install dependencies' displayName: 'Install dependencies'
- script: './download.sh' - script: './download.sh'
......
...@@ -18,7 +18,7 @@ steps: ...@@ -18,7 +18,7 @@ steps:
inputs: inputs:
versionSpec: '$(python.version)' versionSpec: '$(python.version)'
- script: 'azure/install_dependencies.sh && pip install h5py pytorch-ignite-nightly tb-nightly sphinx sphinx_rtd_theme matplotlib pillow sphinx-gallery && pip install .' - script: 'azure/install_dependencies.sh && pip install h5py pytorch-ignite tb-nightly sphinx sphinx_rtd_theme matplotlib pillow sphinx-gallery && pip install .'
displayName: 'Install dependencies' displayName: 'Install dependencies'
- script: './download.sh' - script: './download.sh'
......
#!/bin/bash #!/bin/bash
python -m pip install --upgrade pip python -m pip install --upgrade pip
pip install torch_nightly -f https://download.pytorch.org/whl/nightly/cpu/torch_nightly.html pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cpu/torch_nightly.html
pip install tqdm pyyaml future pkbar pip install tqdm pyyaml future pkbar
pip install 'ase<=3.17' pip install 'ase<=3.17'
\ No newline at end of file
#!/bin/bash #!/bin/bash
python -m pip install --upgrade pip python -m pip install --upgrade pip
pip install torch_nightly -f https://download.pytorch.org/whl/nightly/cpu/torch_nightly.html pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cpu/torch_nightly.html
pip install tqdm pyyaml future pkbar pip install tqdm pyyaml future pkbar
pip2 install 'ase<=3.17' pip2 install 'ase<=3.17'
\ No newline at end of file
...@@ -27,9 +27,6 @@ steps: ...@@ -27,9 +27,6 @@ steps:
- script: 'python -m torchani.data.cache_aev tmp dataset/ani1-up_to_gdb4/ani_gdb_s01.h5 256' - script: 'python -m torchani.data.cache_aev tmp dataset/ani1-up_to_gdb4/ani_gdb_s01.h5 256'
displayName: Cache AEV displayName: Cache AEV
- script: 'pip install pytorch-ignite-nightly'
displayName: 'Install more dependencies'
- script: 'python -m torchani.neurochem.trainer --tqdm tests/test_data/inputtrain.ipt dataset/ani1-up_to_gdb4/ani_gdb_s01.h5 dataset/ani1-up_to_gdb4/ani_gdb_s01.h5' - script: 'python -m torchani.neurochem.trainer --tqdm tests/test_data/inputtrain.ipt dataset/ani1-up_to_gdb4/ani_gdb_s01.h5 dataset/ani1-up_to_gdb4/ani_gdb_s01.h5'
displayName: NeuroChem Trainer displayName: NeuroChem Trainer
......
...@@ -37,7 +37,7 @@ steps: ...@@ -37,7 +37,7 @@ steps:
- script: 'python tools/comp6.py dataset/COMP6/COMP6v1/s66x8' - script: 'python tools/comp6.py dataset/COMP6/COMP6v1/s66x8'
displayName: COMP6 Benchmark displayName: COMP6 Benchmark
- script: 'pip install pytorch-ignite-nightly' - script: 'pip install pytorch-ignite'
displayName: 'Install more dependencies' displayName: 'Install more dependencies'
- script: 'python tools/training-benchmark.py dataset/ani1-up_to_gdb4/ani_gdb_s01.h5' - script: 'python tools/training-benchmark.py dataset/ani1-up_to_gdb4/ani_gdb_s01.h5'
......
...@@ -5,14 +5,14 @@ TorchANI requires the latest preview version of PyTorch. You can install PyTorch ...@@ -5,14 +5,14 @@ TorchANI requires the latest preview version of PyTorch. You can install PyTorch
.. code-block:: bash .. code-block:: bash
pip install numpy torchvision_nightly pip install numpy
pip install torch_nightly -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html
If you updated TorchANI, you may also need to update PyTorch: If you updated TorchANI, you may also need to update PyTorch:
.. code-block:: bash .. code-block:: bash
pip install --upgrade torch_nightly -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html pip install --pre torch torchvision -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html
After installing the correct PyTorch, you can install TorchANI by: After installing the correct PyTorch, you can install TorchANI by:
......
...@@ -18,7 +18,7 @@ setup_attrs = { ...@@ -18,7 +18,7 @@ setup_attrs = {
'use_scm_version': True, 'use_scm_version': True,
'setup_requires': ['setuptools_scm'], 'setup_requires': ['setuptools_scm'],
'install_requires': [ 'install_requires': [
'torch-nightly', 'torch',
'lark-parser', 'lark-parser',
], ],
'test_suite': 'nose.collector', 'test_suite': 'nose.collector',
...@@ -29,7 +29,7 @@ setup_attrs = { ...@@ -29,7 +29,7 @@ setup_attrs = {
'ase', 'ase',
'coverage', 'coverage',
'h5py', 'h5py',
'pytorch-ignite-nightly', 'pytorch-ignite',
'pillow', 'pillow',
'pkbar' 'pkbar'
], ],
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment