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RC Data Science
community-containers
Alphafold3
Commits
eac27abf
Commit
eac27abf
authored
5 months ago
by
Ubuntu
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Edited only Dockerfile
parent
1d69e7df
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...
...
@@ -15,7 +15,8 @@ FROM nvidia/cuda:12.6.0-base-ubuntu22.04
# git is required for pyproject.toml toolchain's use of CMakeLists.txt.
RUN
apt update
--quiet
\
&&
apt
install
--yes
--quiet
software-properties-common
\
&&
apt
install
--yes
--quiet
git wget
&&
apt
install
--yes
--quiet
git wget
\
&&
apt
install
--yes
--quiet
g++ make build-essential cmake
# Get apt repository of specific Python versions. Then install Python. Tell APT
# this isn't an interactive TTY to avoid timezone prompt when installing.
...
...
@@ -45,6 +46,7 @@ COPY . /app/alphafold
WORKDIR
/app/alphafold
# Install the Python dependencies AlphaFold 3 needs.
RUN
pip3
install
setuptools wheel build
RUN
pip3
install
-r
dev-requirements.txt
RUN
pip3
install
--no-deps
.
# Build chemical components database (this binary was installed by pip).
...
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