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Commit 8405d00e authored by Studer Gabriel's avatar Studer Gabriel
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simplify Dockerfile - remove MSMS

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Changes in Release 2.x.c
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* Simplify Dockerfile - remove MSMS
Changes in Release 2.3.0 Changes in Release 2.3.0
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...@@ -36,18 +36,6 @@ RUN apt-get update -y && apt-get install -y cmake \ ...@@ -36,18 +36,6 @@ RUN apt-get update -y && apt-get install -y cmake \
# CLEANUP # CLEANUP
rm -rf /var/lib/apt/lists/* rm -rf /var/lib/apt/lists/*
# INSTALL MSMS
##############
RUN cd ${SRC_FOLDER} && \
mkdir -p msms && \
cd ${SRC_FOLDER}/msms && \
wget http://mgltools.scripps.edu/downloads/tars/releases/MSMSRELEASE/REL${MSMS_VERSION}/msms_i86_64Linux2_${MSMS_VERSION}.tar.gz && \
tar -xvzf msms_i86_64Linux2_${MSMS_VERSION}.tar.gz && \
cp -v ${SRC_FOLDER}/msms/msms.x86_64Linux2.${MSMS_VERSION} /usr/local/bin/msms && \
cp -v ${SRC_FOLDER}/msms/pdb_to_xyzr /usr/local/bin/pdb_to_xyzr && \
cp -v ${SRC_FOLDER}/msms/pdb_to_xyzrn /usr/local/bin/pdb_to_xyzrn && \
rm -rf ${SRC_FOLDER}/msms
# INSTALL OPENMM # INSTALL OPENMM
################ ################
RUN cd ${SRC_FOLDER} && \ RUN cd ${SRC_FOLDER} && \
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