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add kim-convergence
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docker/install/Dockerfile

Lines changed: 4 additions & 3 deletions
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@@ -57,6 +57,7 @@ RUN ${PIP} install spglib==2.3.1
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RUN ${PIP} install numdifftools==0.9.41
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RUN ${PIP} install kim-tools==0.4.0
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RUN ${PIP} install kimvv==0.1.6
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RUN ${PIP} install kim-convergence==0.0.3
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#########################################
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## OpenMPI
@@ -184,9 +185,9 @@ RUN cd ${PACKAGE_DIR}/crystal-genome-util \
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&& cd ${PACKAGE_DIR} \
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&& rm -r ${PACKAGE_DIR}/crystal-genome-util
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#########################################
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## convergence
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#########################################
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###################################################
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## convergence -- legacy version of kim-convergence
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###################################################
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RUN cd ${PACKAGE_DIR} \
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&& tar xJf convergence.txz \
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&& rm convergence.txz \

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