"run_pretrained_openfold.py" did not exist on "376c60c732cc779aa08cb11f7535d36a1e97c489"
Commit 942f4d6e authored by Vaclav Hanzl's avatar Vaclav Hanzl
Browse files

Advance python version to 3.9 to build docker in Ubuntu Lunar Lobster

parent b5fa2ba3
......@@ -31,6 +31,6 @@ COPY setup.py /opt/openfold/setup.py
COPY lib/openmm.patch /opt/openfold/lib/openmm.patch
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
RUN patch -p0 -d /opt/conda/lib/python3.7/site-packages/ < /opt/openfold/lib/openmm.patch
RUN patch -p0 -d /opt/conda/lib/python3.9/site-packages/ < /opt/openfold/lib/openmm.patch
WORKDIR /opt/openfold
RUN python3 setup.py install
......@@ -4,7 +4,7 @@ channels:
- bioconda
- pytorch
dependencies:
- conda-forge::python=3.7
- conda-forge::python=3.9
- conda-forge::setuptools=59.5.0
- conda-forge::pip
- conda-forge::openmm=7.5.1
......
......@@ -27,7 +27,7 @@ cd $CUR_DIR
# Install DeepMind's OpenMM patch
OPENFOLD_DIR=$PWD
pushd lib/conda/envs/$ENV_NAME/lib/python3.7/site-packages/ \
pushd lib/conda/envs/$ENV_NAME/lib/python3.9/site-packages/ \
&& patch -p0 < $OPENFOLD_DIR/lib/openmm.patch \
&& popd
......
......@@ -128,7 +128,7 @@ setup(
classifiers=[
'License :: OSI Approved :: Apache Software License',
'Operating System :: POSIX :: Linux',
'Programming Language :: Python :: 3.7,'
'Programming Language :: Python :: 3.9,'
'Topic :: Scientific/Engineering :: Artificial Intelligence',
],
)
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