pass the name of the python interpreter compatible with the python package to 'make install-python'
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@ -1,6 +1,7 @@
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# Settings that the LAMMPS build will import when this package library is used
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# Settings that the LAMMPS build will import when this package library is used
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# See the README file for more explanation
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# See the README file for more explanation
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python_SYSINC = $(shell which python2-config > /dev/null 2>&1 && python2-config --includes || python-config --includes )
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python_SYSINC = $(shell which python-config > /dev/null 2>&1 && python-config --includes || :)
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python_SYSLIB = $(shell which python2-config > /dev/null 2>&1 && python2-config --ldflags || python-config --ldflags)
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python_SYSLIB = $(shell which python-config > /dev/null 2>&1 && python-config --ldflags || :)
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python_SYSPATH =
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python_SYSPATH =
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PYTHON=python
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# Settings that the LAMMPS build will import when this package library is used
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# Settings that the LAMMPS build will import when this package library is used
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# See the README file for more explanation
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# See the README file for more explanation
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python_SYSINC = $(shell which python2-config > /dev/null 2>&1 && python2-config --includes || python-config --includes )
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python_SYSINC = $(shell which python2-config > /dev/null 2>&1 && python2-config --includes || which python-config > /dev/null 2>&1 && python-config --includes || :)
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python_SYSLIB = $(shell which python2-config > /dev/null 2>&1 && python2-config --ldflags || python-config --ldflags)
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python_SYSLIB = $(shell which python2-config > /dev/null 2>&1 && python2-config --ldflags || which python-config > /dev/null 2>&1 && python-config --ldflags || :)
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python_SYSPATH =
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python_SYSPATH =
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PYTHON=$(shell which python2 > /dev/null 2>&1 && echo python2 || echo python)
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@ -4,3 +4,4 @@
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python_SYSINC = -I/usr/local/include/python2.7
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python_SYSINC = -I/usr/local/include/python2.7
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python_SYSLIB = -lpython2.7 -lnsl -ldl -lreadline -ltermcap -lpthread -lutil -lm -Xlinker -export-dynamic
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python_SYSLIB = -lpython2.7 -lnsl -ldl -lreadline -ltermcap -lpthread -lutil -lm -Xlinker -export-dynamic
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python_SYSPATH =
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python_SYSPATH =
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PYTHON=python2.7
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@ -1,6 +1,7 @@
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# Settings that the LAMMPS build will import when this package library is used
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# Settings that the LAMMPS build will import when this package library is used
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# See the README file for more explanation
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# See the README file for more explanation
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python_SYSINC = $(shell which python3-config > /dev/null 2>&1 && python3-config --includes || python-config --includes )
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python_SYSINC = $(shell which python3-config > /dev/null 2>&1 && python3-config --includes || which python-config > /dev/null 2>&1 && python-config --includes || :)
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python_SYSLIB = $(shell which python3-config > /dev/null 2>&1 && python3-config --ldflags || python-config --ldflags)
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python_SYSLIB = $(shell which python3-config > /dev/null 2>&1 && python3-config --ldflags || which python-config > /dev/null 2>&1 && python-config --ldflags || : )
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python_SYSPATH =
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python_SYSPATH =
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PYTHON=$(shell which python3 > /dev/null 2>&1 && echo python3 || echo python)
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@ -1,22 +1,26 @@
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The Makefile.lammps file in this directory is used when building
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The Makefile.lammps file in this directory is used when building
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LAMMPS with its PYTHON package installed. The file has several
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LAMMPS with its PYTHON package installed. The file has several
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settings needed to compile and link LAMMPS with the Python library.
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settings needed to compile and link LAMMPS with the Python library.
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You should choose a Makefile.lammps.* file compatible with your system
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and your version of Python, and copy it to Makefile.lammps before
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building LAMMPS itself. You may need to edit one of the provided
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files to match your system.
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If you create a new Makefile.lammps file suitable for some version of
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The default Makefile.lammps will automatically choose the default
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Python on some system, that is not a match to one of the provided
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python interpreter of your system and will infer the flags from
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Makefile.lammps.* files, you can send it to the developers, and we can
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the python-config utility, that is usually bundled with the python
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include it in the distribution for others to use.
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installation. If needed, you can copy one of the other provided
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Makefile.lammps.* files to to Makefile.lammps before building
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LAMMPS itself.
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To illustrate, these are example settings from the
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The files Makefile.lammps.python2 and Makefile.lammps.python3 are
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Makefile.lammps.python2.7 file:
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similar to the default file, but meant for the case that both,
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python 2 and python 3, are installed simultaneously and you want
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to prefer one over the other. If neither of these files work, you
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may have to create a custom Makefile.lammps file suitable for
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the version of Python on your system. To illustrate, these are
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example settings from the Makefile.lammps.python2.7 file:
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python_SYSINC = -I/usr/local/include/python2.7
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python_SYSINC = -I/usr/local/include/python2.7
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python_SYSLIB = -lpython2.7 -lnsl -ldl -lreadline -ltermcap -lpthread -lutil -lm
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python_SYSLIB = -lpython2.7 -lnsl -ldl -lreadline -ltermcap -lpthread -lutil -lm
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python_SYSPATH =
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python_SYSPATH =
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PYTHON=python2.7
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python_SYSINC refers to the directory where Python's Python.h file is
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python_SYSINC refers to the directory where Python's Python.h file is
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found. LAMMPS includes this file.
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found. LAMMPS includes this file.
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@ -26,10 +30,13 @@ application (LAMMPS in this case) to "embed" Python in the
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application. The Python library itself is listed (-lpython2.7) are
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application. The Python library itself is listed (-lpython2.7) are
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are several system libraries needed by Python.
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are several system libraries needed by Python.
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python_SYSPATH = refers to the path (e.g. -L/usr/local/lib) where the
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python_SYSPATH refers to the path (e.g. -L/usr/local/lib) where the
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Python library can be found. You may not need this setting if the
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Python library can be found. You may not need this setting if the
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path is already included in your LD_LIBRARY_PATH environment variable.
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path is already included in your LD_LIBRARY_PATH environment variable.
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PYTHON is the name of the python interpreter. It is used for
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installing the LAMMPS python module with "make install-python"
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-------------------------
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-------------------------
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Note that the trickiest issue to figure out for inclusion in
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Note that the trickiest issue to figure out for inclusion in
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@ -224,7 +224,8 @@ mpi-stubs:
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@cd STUBS; $(MAKE) clean; $(MAKE)
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@cd STUBS; $(MAKE) clean; $(MAKE)
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# install LAMMPS shared lib and Python wrapper for Python usage
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# install LAMMPS shared lib and Python wrapper for Python usage
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# include python package settings to automatically adapt name of python interpreter
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sinclude ../lib/python/Makefile.lammps
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install-python:
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install-python:
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@$(PYTHON) ../python/install.py
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@$(PYTHON) ../python/install.py
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