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 ...@@ -31,6 +31,6 @@ COPY setup.py /opt/openfold/setup.py
COPY lib/openmm.patch /opt/openfold/lib/openmm.patch 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/conda/lib/python3.9/site-packages/ < /opt/openfold/lib/openmm.patch
WORKDIR /opt/openfold WORKDIR /opt/openfold
RUN python3 setup.py install RUN python3 setup.py install
...@@ -4,7 +4,7 @@ channels: ...@@ -4,7 +4,7 @@ channels:
- bioconda - bioconda
- pytorch - pytorch
dependencies: dependencies:
- conda-forge::python=3.7 - conda-forge::python=3.9
- conda-forge::setuptools=59.5.0 - conda-forge::setuptools=59.5.0
- conda-forge::pip - conda-forge::pip
- conda-forge::openmm=7.5.1 - conda-forge::openmm=7.5.1
......
...@@ -27,7 +27,7 @@ cd $CUR_DIR ...@@ -27,7 +27,7 @@ cd $CUR_DIR
# Install DeepMind's OpenMM patch # Install DeepMind's OpenMM patch
OPENFOLD_DIR=$PWD 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 \ && patch -p0 < $OPENFOLD_DIR/lib/openmm.patch \
&& popd && popd
......
...@@ -128,7 +128,7 @@ setup( ...@@ -128,7 +128,7 @@ setup(
classifiers=[ classifiers=[
'License :: OSI Approved :: Apache Software License', 'License :: OSI Approved :: Apache Software License',
'Operating System :: POSIX :: Linux', 'Operating System :: POSIX :: Linux',
'Programming Language :: Python :: 3.7,' 'Programming Language :: Python :: 3.9,'
'Topic :: Scientific/Engineering :: Artificial Intelligence', 'Topic :: Scientific/Engineering :: Artificial Intelligence',
], ],
) )
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment