Merge pull request #18 from openkim/update-numdifftools

first branch comit
openkim · Jul 24, 2024 · dab240f · dab240f
2 parents c440b3e + fc602d2
commit dab240f
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Showing 2 changed files with 1 addition and 10 deletions.
diff --git a/docker/git/Dockerfile b/docker/git/Dockerfile
@@ -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

diff --git a/docker/install/Dockerfile b/docker/install/Dockerfile
@@ -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++
@@ -86,12 +87,6 @@ RUN cd ${PACKAGE_DIR} \
  && rm -r ${KIM_API_PACKAGE} \
  && ldconfig
 
-#########################################
-## numdifftools
-#########################################
-RUN cd ${PACKAGE_DIR}/numdifftools \
- && ${PIP} install . 
-
 #########################################
 ## kimpy
 #########################################