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enforce documented Python version requirement for MLIAP with Python

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This commit is contained in:
Axel Kohlmeyer
2021-02-10 08:57:14 -05:00
parent bbb355b1f5
commit 11341a5b66
2 changed files with 12 additions and 3 deletions
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11
cmake/Modules/Packages/MLIAP.cmake
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@ -1,7 +1,7 @@
# if PYTHON package is included we may also include Python support in MLIAP
set(MLIAP_ENABLE_PYTHON_DEFAULT OFF)
if(PKG_PYTHON)
find_package(Cythonize)
find_package(Cythonize QUIET)
if(Cythonize_FOUND)
set(MLIAP_ENABLE_PYTHON_DEFAULT ON)
endif()
@ -14,6 +14,15 @@ if(MLIAP_ENABLE_PYTHON)
if(NOT PKG_PYTHON)
message(FATAL_ERROR "Must enable PYTHON package for including Python support in MLIAP")
endif()
if(CMAKE_VERSION VERSION_LESS 3.12)
if(PYTHONLIBS_VERSION_STRING VERSION_LESS 3.6)
message(FATAL_ERROR "Python support in MLIAP requires Python 3.6 or later")
endif()
else()
if(Python_VERSION VERSION_LESS 3.6)
message(FATAL_ERROR "Python support in MLIAP requires Python 3.6 or later")
endif()
endif()
set(MLIAP_BINARY_DIR ${CMAKE_BINARY_DIR}/cython)
set(MLIAP_CYTHON_SRC ${LAMMPS_SOURCE_DIR}/MLIAP/mliap_model_python_couple.pyx)

4
doc/src/Packages_details.rst
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@ -668,8 +668,8 @@ A general interface for machine-learning interatomic potentials, including PyTor
To use this package, also the :ref:`SNAP package <PKG-SNAP>` package needs
to be installed. To make the *mliappy* model available, also the
:ref:`PYTHON package <PKG-PYTHON>` package needs to be installed, the version of
Python must be 3.6 or later, and the `cython <https://cython.org/>`_ software
:ref:`PYTHON package <PKG-PYTHON>` package needs to be installed, the version
of Python must be 3.6 or later, and the `cython <https://cython.org/>`_ software
must be installed.
**Author:** Aidan Thompson (Sandia), Nicholas Lubbers (LANL).