diff --git a/docker/.Dockerfile.swp b/docker/.Dockerfile.swp new file mode 100644 index 0000000000000000000000000000000000000000..5373f732d195de1201b6ef82c4a4822a0e588437 Binary files /dev/null and b/docker/.Dockerfile.swp differ diff --git a/docker/Dockerfile b/docker/Dockerfile index daaf8ecb192afbe6941e1ad55a568c5419497b46..ec52f989314aa54b00f40d5524594fc7627e0a8b 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -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).