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
```bash
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:
```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:
......
......@@ -23,7 +23,7 @@ steps:
- script: 'git describe --exact-match --tags HEAD'
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'
- script: './download.sh'
......
......@@ -18,7 +18,7 @@ steps:
inputs:
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'
- script: './download.sh'
......
#!/bin/bash
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 'ase<=3.17'
\ No newline at end of file
pip install 'ase<=3.17'
#!/bin/bash
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
pip2 install 'ase<=3.17'
\ No newline at end of file
pip2 install 'ase<=3.17'
......@@ -27,9 +27,6 @@ steps:
- script: 'python -m torchani.data.cache_aev tmp dataset/ani1-up_to_gdb4/ani_gdb_s01.h5 256'
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'
displayName: NeuroChem Trainer
......
......@@ -37,7 +37,7 @@ steps:
- script: 'python tools/comp6.py dataset/COMP6/COMP6v1/s66x8'
displayName: COMP6 Benchmark
- script: 'pip install pytorch-ignite-nightly'
- script: 'pip install pytorch-ignite'
displayName: 'Install more dependencies'
- 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
.. code-block:: bash
pip install numpy torchvision_nightly
pip install torch_nightly -f https://download.pytorch.org/whl/nightly/cu100/torch_nightly.html
pip install numpy
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:
.. 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:
......
......@@ -18,7 +18,7 @@ setup_attrs = {
'use_scm_version': True,
'setup_requires': ['setuptools_scm'],
'install_requires': [
'torch-nightly',
'torch',
'lark-parser',
],
'test_suite': 'nose.collector',
......@@ -29,7 +29,7 @@ setup_attrs = {
'ase',
'coverage',
'h5py',
'pytorch-ignite-nightly',
'pytorch-ignite',
'pillow',
'pkbar'
],
......
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