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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -57,6 +57,7 @@ RUN ${PIP} install spglib==2.3.1
5757RUN ${PIP} install numdifftools==0.9.41
5858RUN ${PIP} install kim-tools==0.4.0
5959RUN ${PIP} install kimvv==0.1.6
60+ RUN ${PIP} install kim-convergence==0.0.3
6061
6162# ########################################
6263# # OpenMPI
@@ -184,9 +185,9 @@ RUN cd ${PACKAGE_DIR}/crystal-genome-util \
184185 && cd ${PACKAGE_DIR} \
185186 && rm -r ${PACKAGE_DIR}/crystal-genome-util
186187
187- # ########################################
188- # # convergence
189- # ########################################
188+ # ##################################################
189+ # # convergence -- legacy version of kim-convergence
190+ # ##################################################
190191RUN cd ${PACKAGE_DIR} \
191192 && tar xJf convergence.txz \
192193 && rm convergence.txz \
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