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OpenDAS
OpenFold
Commits
942f4d6e
Commit
942f4d6e
authored
Apr 26, 2023
by
Vaclav Hanzl
Browse files
Advance python version to 3.9 to build docker in Ubuntu Lunar Lobster
parent
b5fa2ba3
Changes
4
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4 changed files
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4 additions
and
4 deletions
+4
-4
Dockerfile
Dockerfile
+1
-1
environment.yml
environment.yml
+1
-1
scripts/install_third_party_dependencies.sh
scripts/install_third_party_dependencies.sh
+1
-1
setup.py
setup.py
+1
-1
No files found.
Dockerfile
View file @
942f4d6e
...
@@ -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
environment.yml
View file @
942f4d6e
...
@@ -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
...
...
scripts/install_third_party_dependencies.sh
View file @
942f4d6e
...
@@ -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
...
...
setup.py
View file @
942f4d6e
...
@@ -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'
,
],
],
)
)
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