From 04a7e137646f08b1f774bf1facc7aa457e1fd4d8 Mon Sep 17 00:00:00 2001 From: Jessica Mauvais Date: Wed, 25 Sep 2024 14:18:35 -0700 Subject: [PATCH] updated req files for dc280 --- pip/cpu_requirements.txt | 2 +- pip/cuda_requirements.txt | 8 +++++--- pip/docker_requirements.txt | 5 +++-- pip/mchip_requirements.txt | 4 ++-- 4 files changed, 11 insertions(+), 8 deletions(-) diff --git a/pip/cpu_requirements.txt b/pip/cpu_requirements.txt index 987349d9..cd8eea23 100644 --- a/pip/cpu_requirements.txt +++ b/pip/cpu_requirements.txt @@ -7,7 +7,7 @@ tensorflow-cpu~=2.14.0 -torch==2.2.0+cpu +torch==2.2.1+cpu torch_geometric lightning diff --git a/pip/cuda_requirements.txt b/pip/cuda_requirements.txt index 91497c80..865ce239 100644 --- a/pip/cuda_requirements.txt +++ b/pip/cuda_requirements.txt @@ -4,12 +4,13 @@ # **Note**: for LC developers, comment out line 3 pypi install and use/uncommenting line 5: #--extra-index-url https://wci-repo.llnl.gov/repository/pypi-group/simple -f https://data.dgl.ai/wheels/cu118/repo.html +-f https://download.pytorch.org/whl/cu118/torch_stable.html -tensorflow[and-cuda]~=2.14.0 +tensorflow[and-cuda]~=2.15.0 tensorrt -torch==2.2.0 +torch==2.2.1+cu118 torch_geometric lightning @@ -46,5 +47,6 @@ ipykernel deepchem==2.8.0 rdkit==2024.3.5 -# deepchem 2.8 requires lightgbm. lightgbm +# deepchem 2.8 requires lightgbm. +lightgbm pyyaml==5.4.1 diff --git a/pip/docker_requirements.txt b/pip/docker_requirements.txt index e7d95ecf..fb385231 100644 --- a/pip/docker_requirements.txt +++ b/pip/docker_requirements.txt @@ -7,7 +7,7 @@ tensorflow-cpu~=2.14.0 -torch==2.2.0+cpu +torch==2.2.1+cpu torch_geometric lightning @@ -46,5 +46,6 @@ jupyterlab deepchem==2.8.0 rdkit==2024.3.5 -# deepchem 2.8 requires lightgbm. lightgbm +# deepchem 2.8 requires lightgbm. +lightgbm pyyaml==5.4.1 diff --git a/pip/mchip_requirements.txt b/pip/mchip_requirements.txt index 7dc18b19..4c21f37e 100644 --- a/pip/mchip_requirements.txt +++ b/pip/mchip_requirements.txt @@ -8,7 +8,7 @@ # use tensorflow not tensorflow-cpu for arm. see https://www.tensorflow.org/install/pip#linux tensorflow~=2.14.0 -torch==2.2.0+cpu +torch==2.2.1+cpu torch_geometric lightning @@ -44,7 +44,7 @@ ipykernel notebook jupyterlab -deepchem==2.7.1 +deepchem==2.8.0 rdkit==2024.3.5 # deepchem requires lightgbm. need to check if it works for macOS. https://pypi.org/project/lightgbm/