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software updates for CG properties
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ilia-nikiforov-umn committed Mar 8, 2024
1 parent 6fa7264 commit aa9aa6a
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5 changes: 4 additions & 1 deletion docker/git/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,10 @@ RUN git clone -q https://github.com/openkim/kim-python-utils -b master ${PACKAGE
&& git checkout e4e21b202264373a9f33dfc47b6e05c0af625950
RUN git clone -q https://github.com/openkim/crystal-genome-util -b main ${PACKAGE_DIR}/crystal-genome-util \
&& cd ${PACKAGE_DIR}/crystal-genome-util \
&& git checkout devel
&& git checkout 92e0b4c54ed4ca4e7ef1630499df2c8651bc2333
RUN git clone -q https://github.com/openkim/kim-property.git -b spoof-version ${PACKAGE_DIR}/kim-property \
&& cd ${PACKAGE_DIR}/kim-property \
&& git checkout 61f230c616c9636ea649ad67c26fd6a0a2115e0c
RUN git clone -q https://github.com/lammps/lammps -b stable_2Aug2023_update1 ${PACKAGE_DIR}/lammps
RUN git clone -q https://gitlab.com/openkim/ase -b user-species ${PACKAGE_DIR}/ase \
&& cd ${PACKAGE_DIR}/ase \
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7 changes: 6 additions & 1 deletion docker/install/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,6 @@ RUN ${PIP} install markupsafe==2.0.1
RUN ${PIP} install Jinja2==2.11.3
RUN ${PIP} install edn_format==0.7.5
RUN ${PIP} install kim-edn==1.3.1
RUN ${PIP} install kim-property==2.5.7
RUN ${PIP} install kim-query==3.0.0
RUN ${PIP} install simplejson==3.17.2
RUN ${PIP} install numpy==1.19.5
Expand Down Expand Up @@ -161,6 +160,12 @@ RUN cd ${PACKAGE_DIR}/ase/ \
RUN cd ${PACKAGE_DIR}/kim-python-utils \
&& ${PIP} install .

#########################################
## kim-property (temporary spoof-version branch)
#########################################
RUN cd ${PACKAGE_DIR}/kim-property \
&& ${PIP} install .

#########################################
## crystal-genome-util
#########################################
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