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first branch comit #18

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Jul 24, 2024
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4 changes: 0 additions & 4 deletions docker/git/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -11,10 +11,6 @@ RUN mkdir -p ${PACKAGE_DIR}
RUN apt-get -qq update
RUN apt-get install --no-install-recommends -qqy ca-certificates
RUN apt-get install --no-install-recommends -qqy git
RUN git clone -q https://github.com/openkim/numdifftools -b master ${PACKAGE_DIR}/numdifftools \
&& cd ${PACKAGE_DIR}/numdifftools \
&& git checkout a53debb144ed02c5c6eb74d5c18d53058259f27c \
&& cd ${PACKAGE_DIR}
RUN git clone -q https://github.com/openkim/kim-python-utils -b master ${PACKAGE_DIR}/kim-python-utils \
&& cd ${PACKAGE_DIR}/kim-python-utils \
&& git checkout e4e21b202264373a9f33dfc47b6e05c0af625950
Expand Down
7 changes: 1 addition & 6 deletions docker/install/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -49,6 +49,7 @@ RUN ${PIP} install pymongo==3.11.3
RUN ${PIP} install montydb==2.1.1
RUN ${PIP} install pybind11==2.6.2
RUN ${PIP} install spglib==2.1.0
RUN ${PIP} install numdifftools==0.9.41

#########################################
## MD++
Expand Down Expand Up @@ -86,12 +87,6 @@ RUN cd ${PACKAGE_DIR} \
&& rm -r ${KIM_API_PACKAGE} \
&& ldconfig

#########################################
## numdifftools
#########################################
RUN cd ${PACKAGE_DIR}/numdifftools \
&& ${PIP} install .

#########################################
## kimpy
#########################################
Expand Down
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