From ad3a23196a93bc6fe403918e3643e5af2274f1de Mon Sep 17 00:00:00 2001 From: Manuel Date: Mon, 2 Jul 2018 19:16:50 -0400 Subject: [PATCH] Replace pytriqs with python. There are still some more occurances of pytriqs. Is on my list to be checked. --- doc/faqs/faqs.rst | 12 ------------ python/converters/plovasp/converter.py | 2 +- shells/plovasp.bash.in | 2 +- shells/vasp_dmft.bash.in | 3 +-- 4 files changed, 3 insertions(+), 16 deletions(-) diff --git a/doc/faqs/faqs.rst b/doc/faqs/faqs.rst index 718da3a4..ffe3b2fc 100644 --- a/doc/faqs/faqs.rst +++ b/doc/faqs/faqs.rst @@ -27,15 +27,3 @@ x optic does not write a case.pmat file Make sure that you set line 6 to "ON" and put a "1" to the following line. The "1" is undocumented in Wien2k, but needed to have `case.pmat` written. However, we are working on reading directly the `case.mommat2` file. - -No module named pytriqs.*** error when running a script -------------------------------------------------------- - -Make sure that have properly build, tested and installed TRIQS and DFTTools -using, make, make test and make install. Additionally, you should always -use pytriqs to call your scripts, e.g. pytriqs yourscript.py - -Why is my calculation not working? ----------------------------------- - -Are you running in the right shell? diff --git a/python/converters/plovasp/converter.py b/python/converters/plovasp/converter.py index ccd5aeda..b6d1b21b 100644 --- a/python/converters/plovasp/converter.py +++ b/python/converters/plovasp/converter.py @@ -67,7 +67,7 @@ def main(): This function should not be called directly but via a bash script 'plovasp' invoking the main function as follows: - pytriqs -m applications.dft.converters.plovasp.converter $@ + python -m applications.dft.converters.plovasp.converter $@ """ narg = len(sys.argv) if narg < 2: diff --git a/shells/plovasp.bash.in b/shells/plovasp.bash.in index 9229f4e1..f9468454 100755 --- a/shells/plovasp.bash.in +++ b/shells/plovasp.bash.in @@ -1,4 +1,4 @@ #!/bin/bash -@CMAKE_INSTALL_PREFIX@/bin/pytriqs -m triqs_dft_tools.converters.plovasp.converter $@ +python -m triqs_dft_tools.converters.plovasp.converter $@ diff --git a/shells/vasp_dmft.bash.in b/shells/vasp_dmft.bash.in index ad4f6543..838b2e39 100755 --- a/shells/vasp_dmft.bash.in +++ b/shells/vasp_dmft.bash.in @@ -81,7 +81,6 @@ echo " Script name: $DMFT_SCRIPT" rm -f vasp.lock stdbuf -o 0 $MPIRUN_CMD -np $NPROC "$VASP_DIR" & -PYTRIQS=@CMAKE_INSTALL_PREFIX@/bin/pytriqs -$MPIRUN_CMD -np $NPROC $PYTRIQS -m triqs_dft_tools.converters.plovasp.sc_dmft $(jobs -p) $NITER $DMFT_SCRIPT 'plo.cfg' || kill %1 +$MPIRUN_CMD -np $NPROC python -m triqs_dft_tools.converters.plovasp.sc_dmft $(jobs -p) $NITER $DMFT_SCRIPT 'plo.cfg' || kill %1