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schwede
openstructure
Commits
8405d00e
Commit
8405d00e
authored
3 years ago
by
Studer Gabriel
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simplify Dockerfile - remove MSMS
parent
ff9f5b30
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CHANGELOG.txt
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CHANGELOG.txt
docker/Dockerfile
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docker/Dockerfile
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CHANGELOG.txt
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View file @
8405d00e
Changes in Release 2.x.c
--------------------------------------------------------------------------------
* Simplify Dockerfile - remove MSMS
Changes in Release 2.3.0
--------------------------------------------------------------------------------
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docker/Dockerfile
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8405d00e
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@@ -36,18 +36,6 @@ RUN apt-get update -y && apt-get install -y cmake \
# CLEANUP
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
################
RUN
cd
${
SRC_FOLDER
}
&&
\
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