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12 changes: 12 additions & 0 deletions .dockerignore
Original file line number Diff line number Diff line change
@@ -0,0 +1,12 @@
# Ignore everything by default
**

# Whitelist only the files and folders needed for building
!Dockerfiles/
!installers/
!src/
!pyproject.toml
!setup.py
!LICENSE
!MANIFEST.in
!README.md
3 changes: 3 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -106,3 +106,6 @@ ENV/

# mypy
.mypy_cache/

# ruff
.ruff_cache/
13 changes: 10 additions & 3 deletions Dockerfiles/murfey-server
Original file line number Diff line number Diff line change
Expand Up @@ -17,6 +17,10 @@ RUN apt-get update && \

# Build Murfey and IMOD in a branch image
FROM base as build

# Set up build argumentss for this stage
ARG IMOD_INSTALLER=imod_5.1.9_RHEL8-64_CUDA12.0.sh

COPY ./ /python-murfey/
RUN apt-get update && \
apt-get upgrade -y && \
Expand All @@ -35,10 +39,13 @@ RUN apt-get update && \
psycopg2-binary \
&& \
/venv/bin/python -m pip install /python-murfey[server] && \
curl https://bio3d.colorado.edu/imod/AMD64-RHEL5/imod_5.1.9_RHEL8-64_CUDA12.0.sh > imod_5.1.9_RHEL8-64_CUDA12.0.sh && \
chmod +x imod_5.1.9_RHEL8-64_CUDA12.0.sh && \
if [ ! -f /python-murfey/installers/${IMOD_INSTALLER} ]; then \
echo "IMOD installer not found; downloading..."; \
curl https://bio3d.colorado.edu/imod/AMD64-RHEL5/${IMOD_INSTALLER} > /python-murfey/installers/${IMOD_INSTALLER}; \
fi && \
chmod +x /python-murfey/installers/${IMOD_INSTALLER} && \
mkdir imod && \
./imod_5.1.9_RHEL8-64_CUDA12.0.sh -dir imod -skip -y
/python-murfey/installers/${IMOD_INSTALLER} -dir imod -skip -y


# Transfer completed builds to base image
Expand Down
2 changes: 2 additions & 0 deletions installers/README.md
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@@ -0,0 +1,2 @@
This is placeholder folder in which installation files for the Docker containers can be placed.
The Dockerfiles will first check to see if the desired file is located here before attempting to download it.