mirror of https://gitlab.com/QEF/q-e.git
Added WEST 1.0.1
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11599 c92efa57-630b-4861-b058-cf58834340f0
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@ -120,6 +120,7 @@ or patch some \qe\ routines can be installed as {\em plug-ins}:
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\item \texttt{GIPAW} (Gauge-Independent Projector Augmented Waves):
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NMR chemical shifts and EPR g-tensor.
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\item \texttt{GWL}: electronic excitations within GW Approximation.
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\item \texttt{WEST}: Many-body perturbation corrections for standard DFT.
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\end{itemize}
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Documentation on single packages can be found in the \texttt{Doc/} or
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\texttt{doc/} directory of each package. A detailed description of input
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@ -754,6 +755,9 @@ At your choice, you may compile the complete \qe\ suite of programs
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unpacks it, runs its \configure,
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produces all \texttt{GIPAW} executables in
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\texttt{GIPAW/bin} and in main \texttt{bin} directory.
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\item \texttt{make west} downloads \texttt{WEST} from \texttt{www.west-code.org},
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unpacks it, produces all the executables
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in \texttt{West/Wfreq} and \texttt{West/Wstat}.
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\end{itemize}
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For the setup of the GUI, refer to the \texttt{PWgui-X.Y.Z /INSTALL} file, where
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X.Y.Z stands for the version number of the GUI (should be the same as the
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4
Makefile
4
Makefile
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@ -22,6 +22,7 @@ default :
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@echo ' gipaw NMR and EPR spectra'
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@echo ' w90 Maximally localised Wannier Functions'
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@echo ' want Quantum Transport with Wannier functions'
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@echo ' west Many-body perturbation corrections for standard DFT'
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@echo ' yambo electronic excitations with plane waves'
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@echo ' yambo-devel yambo devel version'
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@echo ' plumed Metadynamics plugin for pw or cp'
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@ -158,6 +159,9 @@ yambo-devel: touch-dummy
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plumed: touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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west: pw touch-dummy
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( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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#epw: touch-dummy
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# ( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
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@ -49,3 +49,5 @@ GPU=v14.06.0
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#GPU_URL=$(URL)$(GPU).tar.gz
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GPU_URL=https://github.com/fspiga/QE-GPU/archive/$(GPU).tar.gz
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#
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WEST=West-1.0.1
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WEST_URL=http://www.west-code.org/downloads/$(WEST).tar.gz
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@ -426,6 +426,28 @@ configure-sax: touch-dummy
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touch ./configure-sax
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###################################
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# WEST
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###################################
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west: extlibs uncompress-west
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if test -d ../West; then \
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cd ../West; $(MAKE) -j1 all || exit 1; fi
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touch ./make-west
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uncompress-west: touch-dummy
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@(if test ! -s ../archive/$(WEST).tgz && test ! -d ../West ; then \
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wget -O ../archive/$(WEST).tar.gz $(WEST_URL) > /dev/null 2>&1; \
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if test "`echo $$?`" -ne "0" ; then \
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curl -o ../archive/$(WEST).tar.gz $(WEST_URL) > /dev/null 2>&1; \
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if test "`echo $$?`" -ne "0" ; then \
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echo "*** Unable to download WEST. Test whether curl or wget is installed and working," ; \
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echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
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echo "*** $(WEST).tar.gz from http://www.west-code.org ." ; \
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exit 1 ; fi ; fi ; fi)
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if test ! -d ../West; then \
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(gzip -dc ../archive/$(WEST).tar.gz | (cd ../ ; tar -xvf -)) ; fi
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touch uncompress-west
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##################################
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# extlibs
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###################################
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@ -619,6 +641,16 @@ sax_veryclean: sax_clean
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if test -d ../$(SAX); then (rm -R -f ../$(SAX)); fi
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- rm -rf ./uncompress-sax
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west_clean:
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if test -d ../West; then (cd ../West; \
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$(MAKE) clean); fi
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- rm -rf ./make-west ./configure-west
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west_veryclean: west_clean
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if test -d ../West; then (rm -R -f ../West); fi
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if test -d ../$(WEST); then (rm -R -f ../$(WEST)); fi
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- rm -rf ./uncompress-west
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gui_clean:
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rm -rf ./make-gui
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@ -636,7 +668,7 @@ gpu_veryclean: gpu_clean
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##########################################################
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clean: w90_clean want_clean yambo_clean yambo-devel_clean plumed_clean epw_clean \
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gui_clean phonon_clean tddfpt_clean xspectra_clean neb_clean pwcond_clean \
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ld1_clean gipaw_clean gpu_clean
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ld1_clean gipaw_clean gpu_clean west_clean
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veryclean: w90_veryclean want_veryclean yambo_veryclean yambo-devel_veryclean plumed_veryclean epw_veryclean \
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gui_veryclean phonon_veryclean tddfpt_veryclean xspectra_veryclean neb_veryclean \
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pwcond_veryclean ld1_veryclean gipaw_veryclean gpu_veryclean
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pwcond_veryclean ld1_veryclean gipaw_veryclean gpu_veryclean west_veryclean
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