From f86fc334b06ade6fcf04023b1880ef4650480248 Mon Sep 17 00:00:00 2001 From: Marta Date: Fri, 29 Oct 2021 00:28:42 -0700 Subject: [PATCH] Dockerfile with minimal env needed for training --- Dockerfile | 11 +++++++++++ requirements_minimal.txt | 8 ++++++++ 2 files changed, 19 insertions(+) create mode 100644 Dockerfile create mode 100644 requirements_minimal.txt diff --git a/Dockerfile b/Dockerfile new file mode 100644 index 0000000..02b7274 --- /dev/null +++ b/Dockerfile @@ -0,0 +1,11 @@ +ARG IMAGE_NAME=nvcr.io/nvidia/pytorch:21.06-py3 + +FROM ${IMAGE_NAME} AS base +ENV DEBIAN_FRONTEND=noninteractive + + +COPY . /workspace/openfold +WORKDIR /workspace/openfold + +RUN pip install -r requirements_minimal.txt +RUN python setup.py install diff --git a/requirements_minimal.txt b/requirements_minimal.txt new file mode 100644 index 0000000..fbfcf5e --- /dev/null +++ b/requirements_minimal.txt @@ -0,0 +1,8 @@ +biopython==1.79 +deepspeed==0.5.3 +dm-tree==0.1.6 +ml-collections==0.1.0 +ninja==1.10.2 +tensorboardX==1.8 +triton==1.0.0 +git+https://github.com/PyTorchLightning/pytorch-lightning.git@6d79184ec50d9f80448013cc2c01b5b744a70b44