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Describes new QUIP directory structure

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13499 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2015-07-01 21:02:16 +00:00
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lib/quip/README
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@ -30,20 +30,20 @@ License Agreement. Extract the tarball into the QUIP directory.
There is a README file in the top-level QUIP directory, but here are
the main steps.
The Makefiles directory contains a selection of machine- and
The arch directory contains a selection of machine- and
compiler-specific makefiles,
e.g. Makefile.linux_x86_64_gfortran. Decide which one is most
appropriate for your system, and edit if necessary. The configuring
step will use the makefile based on the QUIP_ARCH environment
variable, i.e. Makefile.${QUIP_ARCH}. The script will create a build
directory, build.${QUIP_ARCH}, and all the building will happen
directory, build/${QUIP_ARCH}, and all the building will happen
there. First it will ask you some questions about where you keep
libraries and other stuff.
If you don't use something it is asking for, just leave it blank. NB
make sure to answer `y' to `Do you want to compile with GAP prediction
support ? [y/n]'. The answers will be stored in Makefile.inc in the
build.${QUIP_ARCH} directory, and you can edit them later (e.g. to
build/${QUIP_ARCH} directory, and you can edit them later (e.g. to
change optimisation or debug options). Note that the default state is
usually with rather heavy debugging on, including bounds checking,
which makes the code quite slow. The make command has to be executed