#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2019, by the GROMACS development team, led by
+# Copyright (c) 2019,2020, by the GROMACS development team, led by
# Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
# and including many others, as listed in the AUTHORS file in the
# top-level source directory and at http://www.gromacs.org.
# directory with some artifacts.
import os
-import sys
from skbuild import setup
-import cmake
usage = """
The `gmxapi` package requires an existing GROMACS installation, version 2020 or higher.
gmxapi_DIR
))
-cmake_platform_hints = ['-DCMAKE_TOOLCHAIN_FILE={}'.format(gmx_toolchain)]
-
-# TODO: Use package-specific hinting variable.
-# We want to be sure that we find a <package>-config.cmake associated with the
-# toolchains file, but we want to preempt most of the normal CMake
-# [search procedure](https://cmake.org/cmake/help/latest/command/find_package.html#id5),
-# which could lead to hard-to-diagnose build problems.
+cmake_platform_hints = '-DCMAKE_TOOLCHAIN_FILE={}'.format(gmx_toolchain)
# Note that <package>_ROOT is not standard until CMake 3.12
# Reference https://cmake.org/cmake/help/latest/policy/CMP0074.html#policy:CMP0074
-_cmake_major, _cmake_minor = cmake.__version__.split('.')[0:2]
-if int(_cmake_major) >= 3 and int(_cmake_minor) >= 12:
- cmake_gmxapi_hint = '-Dgmxapi_ROOT={}'
-else:
- cmake_gmxapi_hint = '-DCMAKE_PREFIX_PATH={}'
-cmake_gmxapi_hint = cmake_gmxapi_hint.format(gmxapi_DIR)
-
-cmake_args = list(cmake_platform_hints)
-cmake_args.append(cmake_gmxapi_hint)
+cmake_gmxapi_hint = '-Dgmxapi_ROOT={}'.format(gmxapi_DIR)
+cmake_args = [cmake_platform_hints, cmake_gmxapi_hint]
setup(
name='gmxapi',
# TODO: (pending infrastructure and further discussion) Replace with CMake variables from GMXAPI version.
- version='0.1.0b2',
+ version='0.1.0.1',
python_requires='>=3.5, <3.9',
- setup_requires=['cmake>=3.9.6',
+ setup_requires=['cmake>=3.12',
'setuptools>=28',
'scikit-build>=0.7'],