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Adjustments to lib/kim/Install.py and docs

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This commit is contained in:
Ryan S. Elliott
2021-12-01 16:49:00 -06:00
parent 8589ecd6c1
commit 65d31dfeb1
2 changed files with 15 additions and 1 deletions
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12
doc/src/Build_extras.rst
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@ -341,6 +341,18 @@ minutes to hours) to build. Of course you only need to do that once.)
$ make lib-kim args="-p /usr/local" # use an existing KIM API installation at the provided location
$ make lib-kim args="-p /usr/local -a EAM_Dynamo_Ackland_W__MO_141627196590_002" # ditto but add one model or driver
When using the "-b " option, the KIM library is built using its native
cmake build system. The ``lib/kim/Install.py`` script supports a
``CMAKE`` environment variable if the cmake executable is named other
than ``cmake`` on your system. Additional environment variables may be
provided for use by camke on the command line. For example, to use the
``cmake3`` executable and tell it to use the gnu version 11 compilers
to build KIM, one could use the following command line.
.. code-block:: bash
$ CMAKE=cmake3 CXX=g++-11 CC=gcc-11 FC=gfortran-11 make lib-kim args="-b " # (re-)install KIM API lib using cmake3 and gnu v11 compilers with only example models
Settings for debugging OpenKIM web queries discussed below need to
be applied by adding them to the ``LMP_INC`` variable through
editing the ``Makefile.machine`` you are using. For example:

4
lib/kim/Install.py
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@ -17,6 +17,8 @@ parser = ArgumentParser(prog='Install.py',
# settings
CMAKE = os.environ.get('CMAKE') or 'cmake'
thisdir = fullpath('.')
version = "2.2.1"
@ -141,7 +143,7 @@ if buildflag:
# configure kim-api
print("Configuring kim-api ...")
cmd = 'cd "%s/kim-api-%s" && mkdir build && cd build && cmake .. -DCMAKE_INSTALL_PREFIX="%s" -DCMAKE_BUILD_TYPE=Release' % (thisdir,version,kimdir)
cmd = 'cd "%s/kim-api-%s" && mkdir build && cd build && %s .. -DCMAKE_INSTALL_PREFIX="%s" -DCMAKE_BUILD_TYPE=Release' % (thisdir,version,CMAKE,kimdir)
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
if verboseflag: print(txt.decode("UTF-8"))