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dft_tools
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Fixed a path to pytriqs in shell scripts 

Now 'pytriqs' is invoked with an absolute path to the current
TRIQS installation. This ensures that the scripts will call
a compatible version of 'pytriqs'.
This commit is contained in:
Oleg E. Peil 2016-03-24 19:57:49 +01:00
parent 2bb45c775c
commit 9112587d18
2 changed files with 4 additions and 2 deletions
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2
shells/plovasp.bash.in
View File

@ -1,4 +1,4 @@
#!/bin/bash
pytriqs -m pytriqs.applications.dft.converters.plovasp.converter $@
@CMAKE_INSTALL_PREFIX@/bin/pytriqs -m pytriqs.applications.dft.converters.plovasp.converter $@

4
shells/vasp_dmft.bash.in
View File

@ -81,5 +81,7 @@ echo " Script name: $DMFT_SCRIPT"
rm -f vasp.lock
stdbuf -o 0 $MPIRUN_CMD -np $NPROC "$VASP_DIR/vasp" &
$MPIRUN_CMD -np $NPROC pytriqs -m pytriqs.applications.dft.converters.plovasp.sc_dmft $(jobs -p) $DMFT_SCRIPT || kill %1
PYTRIQS=@CMAKE_INSTALL_PREFIX@/bin/pytriqs
$MPIRUN_CMD -np $NPROC $PYTRIQS -m pytriqs.applications.dft.converters.plovasp.sc_dmft $(jobs -p) $DMFT_SCRIPT || kill %1