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OpenDAS
OpenFold
Commits
a039e9c4
"pcdet/models/vscode:/vscode.git/clone" did not exist on "3b2bcdafeeb99aadbd981854e8e01683b7f302b8"
Commit
a039e9c4
authored
Jun 17, 2022
by
Brian Loyal
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Revert Dockerfile
parent
7aa2460d
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Dockerfile
View file @
a039e9c4
FROM
nvidia/cuda:10.2-cudnn8-runtime-ubuntu18.04
FROM
nvidia/cuda:10.2-cudnn8-runtime-ubuntu18.04
RUN
apt-key del 7fa2af80
RUN
apt-key adv
--fetch-keys
https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/7fa2af80.pub
RUN
apt-key adv
--fetch-keys
https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/3bf863cc.pub
RUN
apt-key adv
--fetch-keys
https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/3bf863cc.pub
RUN
apt-get update
\
RUN
apt-get update
&&
apt-get
install
-y
wget cuda-minimal-build-10-2 git
&&
apt-get
install
-y
wget cuda-minimal-build-10-2 git zip
\
RUN
wget
-P
/tmp
\
&&
apt-get clean
"https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh"
\
&&
bash /tmp/Miniconda3-latest-Linux-x86_64.sh
-b
-p
/opt/conda
\
&&
rm
/tmp/Miniconda3-latest-Linux-x86_64.sh
ENV
PATH /opt/conda/bin:$PATH
RUN
wget
-q
-P
/tmp
\
COPY
environment.yml /opt/openfold/environment.yml
https://github.com/conda-forge/miniforge/releases/latest/download/Mambaforge-Linux-x86_64.sh
\
&&
bash /tmp/Mambaforge-Linux-x86_64.sh
-b
-p
/opt/mamba
\
&&
rm
/tmp/Mambaforge-Linux-x86_64.sh
ENV
PATH="/opt/mamba/bin:$PATH"
# installing into the base environment since the docker container wont do anything other than run openfold
RUN
conda
env
update
-n
base
--file
/opt/openfold/environment.yml
&&
conda clean
--all
RUN
wget
-O
"awscliv2.zip"
"https://awscli.amazonaws.com/awscli-exe-linux-x86_64.zip"
\
&&
unzip awscliv2.zip
\
&&
./aws/install
\
&&
rm
awscliv2.zip
RUN
git clone
--branch
main
--single-branch
https://github.com/aqlaboratory/openfold.git /opt/openfold
\
&&
cd
/opt/openfold
\
&&
git reset ec5619fc970e28e7b81ce452f5e08e7dd6a7cb31
\
&&
rm
-rf
/opt/openfold/imgs /opt/openfold/notebooks /opt/openfold/tests
RUN
mamba
env
update
-n
base
--file
/opt/openfold/environment.yml
\
&&
mamba clean
--all
COPY
openfold /opt/openfold/openfold
COPY
scripts /opt/openfold/scripts
COPY
run_pretrained_openfold.py /opt/openfold/run_pretrained_openfold.py
COPY
train_openfold.py /opt/openfold/train_openfold.py
COPY
setup.py /opt/openfold/setup.py
COPY
lib/openmm.patch /opt/openfold/lib/openmm.patch
RUN
wget
-q
-P
/opt/openfold/openfold/resources
\
RUN
wget
-q
-P
/opt/openfold/openfold/resources
\
https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt
https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt
RUN
patch
-p0
-d
/opt/conda/lib/python3.7/site-packages/ < /opt/openfold/lib/openmm.patch
RUN
patch
-p0
-d
/opt/mamba/lib/python3.7/site-packages/ < /opt/openfold/lib/openmm.patch
COPY
run_batch_job.sh /opt/openfold
WORKDIR
/opt/openfold
WORKDIR
/opt/openfold
RUN
python3 setup.py
install
RUN
python3 setup.py
install
\ No newline at end of file
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