From 19b45180e6d2fdd0affa74aadfc9744562e9dbbc Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Mon, 16 Dec 2019 14:08:37 +0100
Subject: [PATCH] avoid duplication of compound library
Make install automatically moves the specified into the default share
directory, so the initially build library can go with the whole build dir
---
docker/Dockerfile | 5 ++---
1 file changed, 2 insertions(+), 3 deletions(-)
diff --git a/docker/Dockerfile b/docker/Dockerfile
index 81784dce2..56d87ebcf 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -5,7 +5,6 @@ FROM ubuntu:18.04
ARG OPENSTRUCTURE_VERSION="python3_port"
ARG SRC_FOLDER="/usr/local/src"
ARG CPUS_FOR_MAKE=2
-ARG OPENSTRUCTURE_SHARE="/usr/local/share/ost"
ARG MSMS_VERSION="2.6.1"
ARG OPENMM_VERSION="7.1.1"
ARG OPENMM_INCLUDE_PATH="/usr/local/openmm/include/"
@@ -89,8 +88,7 @@ RUN cd ${SRC_FOLDER} && \
make -j ${CPUS_FOR_MAKE} && \
wget ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif.gz && \
stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb && stage/bin/chemdict_tool update ../modules/conop/data/charmm.cif compounds.chemlib charmm && \
- mkdir -p $OPENSTRUCTURE_SHARE && chmod a+rw -R $OPENSTRUCTURE_SHARE && mv compounds.chemlib $OPENSTRUCTURE_SHARE && \
- cmake .. -DCOMPOUND_LIB=$OPENSTRUCTURE_SHARE/compounds.chemlib && \
+ cmake .. -DCOMPOUND_LIB=${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}/build/compounds.chemlib && \
make -j ${CPUS_FOR_MAKE} && make check && make install && \
rm ${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}.tar.gz && \
rm -rf ${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}
@@ -106,3 +104,4 @@ ENV OPENSTRUCTURE_VERSION=$OPENSTRUCTURE_VERSION
ENTRYPOINT ["ost"]
CMD ["-i"]
+
--
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