Files
CoolProp/wrappers/Python/setup.py
Ian Bell 267d64533a Superancillaries for pure fluids (#2511)
* Expansions are fully wrapped, looking good. Next step is the set of expansions that is the 1D approximation

* Get 1D approx working via cython

* Count solutions

* SuperAncillary class is working

>1000x speedup for water
Time for C++!

* Superancillaries are working!

In C++, speedup is more than 2000x. In Python, more like 150x because of Python <-> C++ overhead

* Add pmax check for PQ superancillary calls

* Update tests

* Allow T limits to be obtained

* Implement get_fluid_parameter_double for getting superanc value

* Add tests for getting parameters from superanc

* Script for testing superancillaries for sphinx

* Microoptimizations; don't help speed

The limiting factor remains the clear function, which takes about 30 ns

* Add R125 superancillary

* Use the release from fastchebpure for the files

* Drop a .gitignore in the unzipped folder

* Update superancillary injection script

* Turn on superancillaries by default

* Missing header

* Many int conversions in superancillary

* Another int cast

* More annoying solution for boost iter max

* Fix warnings

* One more warning

* Clear up the calculation of rho

* Update docs_docker-build.yml

Use arm64 since the containers were built on mac

* Superfluous ;

* Update backend.py

* Get the critical points working for superancillaries

* Fix wrapping changes of xmin&xmax methods

* squelch warnings

* Version 0 of jupyter notebook for docs

* Try to add the notebook to the docs

* Add jupyter notebook for superancillary

* Lots of updates to superancillary notebook

* More updates to docs

* Skip pseudo-pure for superancillary docs

* Fix output of superancillary figures

* Add superancillary plots to docs for the page for each fluid

* Make a placeholder figure for fluids without superancillary

* Add superancillary plots to task list

* Bump to release fixing m-xylene

* Relax the location of the REFPROP stuff

* Change default name for R-1336mzz(E)

* No need for figures to be so large

* Don't need REFPROP setting

* Bump to fastchebpure release with methanol

* Benchmark caching options

* Benchmark more granularly

* Add the fast methods to public API for HEOS class

* Back to memset - can memset with 0 but no other value

* Fix how caching is managed in Helmholtz class

* Close to final implementation

Perhaps a tiny bit more optimization possible?

* Update function name

* Make message more accurate

* Fix init order

* Expose update_QT_pure_superanc to Python

* Fix when _reducing is set for pures

* Fix the post_update

* Indent

* Notebook

* Notebook

* Make ln(p) construction lazy

Only really matters for debug builds

* Also make reference non-const

* Inject superancillary for methanol

* Make the superancillary loading entirely lazy in debug

* Fix PH bug for Nitrogen

 Closes #2470

* Force the clear to be called on SatL and SatV

To invalidate them at start

* Default is non-lazy superancillary loading

* Add CMake option to have lazy-loading superancillaries [skip ci]

Not a good idea unless doing very narrow testing
2025-05-17 20:27:19 -04:00

530 lines
23 KiB
Python

from __future__ import print_function
import platform
import subprocess, shutil, os, sys, glob, tempfile
from packaging.version import Version
from sysconfig import get_config_var
from setuptools.command.build_ext import build_ext
from multiprocessing import cpu_count
import shutil
from pathlib import Path
def copy_files():
def copytree(old, new):
print(old, '-->', new)
shutil.copytree(old, new)
def copy2(old, new):
print(old, '-->', new)
shutil.copy2(old, new)
import shutil
shutil.rmtree(os.path.join('CoolProp', 'include'), ignore_errors=True)
copytree(os.path.join(CProot, 'include'), os.path.join('CoolProp', 'include'))
for jsonfile in glob.glob(os.path.join('CoolProp', 'include', '*_JSON.h')):
print('removing', jsonfile)
os.remove(jsonfile)
for jsonfile in glob.glob(os.path.join('CoolProp', 'include', '*_JSON_z.h')):
print('removing', jsonfile)
os.remove(jsonfile)
copytree(os.path.join(CProot, 'externals/fmtlib/include/fmt'), os.path.join('CoolProp', 'include', 'fmt')) # Should be deprecated
#copytree(os.path.join(CProot, 'externals/fmtlib/include/fmt'), os.path.join('CoolProp','include','fmt'))
copy2(os.path.join(CProot, 'CoolPropBibTeXLibrary.bib'), os.path.join('CoolProp', 'CoolPropBibTeXLibrary.bib'))
here = os.path.dirname(__file__)
root = os.path.abspath(here + '/../..')
if not os.path.exists(root+'/boost_CoolProp/boost/version.hpp'):
print('expanding boost sources')
shutil.unpack_archive(root+'/dev/docker/boost_bcp_docker/boost_CoolProp.tar.xz', root)
assert(os.path.exists(root+'/boost_CoolProp/boost/version.hpp'))
print('files copied.')
def remove_files():
import shutil
shutil.rmtree(os.path.join('CoolProp', 'include'), ignore_errors=True)
os.remove(os.path.join('CoolProp', 'CoolPropBibTeXLibrary.bib'))
print('files removed.')
def touch(fname):
open(fname, 'a').close()
os.utime(fname, None)
def recursive_collect_includes():
thefiles = []
include_path = os.path.join('CoolProp', 'include')
for root, dirs, files in os.walk(include_path):
thefiles += [os.path.relpath(os.path.join(root, _f), 'CoolProp') for _f in files]
return thefiles
if __name__ == '__main__':
# #Handling the standard library for C++ on OSX
#
# This is mostly related to the compiler version, but since it is much
# easier to check the OSX version, we are may also use that as an
# indicator. OSX 10.14 and XCode 10 completely dropped support for
# libstdc++ which forces is to manipulate the minimum OSX target
# version when compiling the Cython extensions.
if sys.platform == 'darwin':
osx_target = Version(get_config_var('MACOSX_DEPLOYMENT_TARGET'))
osx_compiler = Version('0.0')
osx_version = Version('0.0')
FORCE_TARGET = None
USE_OSX_VERSION = False
if USE_OSX_VERSION:
osx_version = Version(platform.mac_ver()[0])
print("OSX build detected, targetting {0} on {1}.".format(osx_target, osx_version))
else:
import subprocess
cmd = subprocess.Popen(r'gcc --version | grep clang | grep -o -E "(\d+\.)+\d+" | uniq | sort', shell=True, stdout=subprocess.PIPE)
for line in cmd.stdout:
# print(line)
try: line = line.decode()
except AttributeError: pass
line = line.strip()
try:
osx_compiler = Version(line)
if osx_compiler > "1.0" and osx_compiler < "100.0": break
except BaseException as be:
print('Error getting OSX compile version: ', str(be))
pass
print("OSX build detected, targetting {0} using clang/gcc v{1}.".format(osx_target, osx_compiler))
# allow to override things manually
if 'MACOSX_DEPLOYMENT_TARGET' not in os.environ:
if osx_version >= Version("10.14"):
os.environ['MACOSX_DEPLOYMENT_TARGET'] = "10.9"
print("Assuming that we cannot build for {0} on {1}, resetting target to {2}".format(osx_target, osx_version, os.environ['MACOSX_DEPLOYMENT_TARGET']))
if osx_compiler >= Version("10"):
os.environ['MACOSX_DEPLOYMENT_TARGET'] = "10.9"
print("Assuming that we cannot build for {0} using clang/gcc {1}, resetting target to {2}".format(osx_target, osx_compiler, os.environ['MACOSX_DEPLOYMENT_TARGET']))
# ******************************
# CMAKE OPTIONS
# ******************************
# Example using CMake to build static library:
# python setup.py install --cmake-compiler vc9 --cmake-bitness 64
#
# or (because pip needs help)
#
# python setup.py install cmake=default,64
cmake_args = [_ for _ in sys.argv if _.startswith('cmake=')]
if cmake_args:
i = sys.argv.index(cmake_args[0])
sys.argv.pop(i)
cmake_compiler, cmake_bitness = cmake_args[0].split('cmake=')[1].split(',')
elif os.environ.get('COOLPROP_CMAKE'):
cmake_compiler, cmake_bitness = os.environ.get('COOLPROP_CMAKE').split(',')
else:
if '--cmake-compiler' in sys.argv:
i = sys.argv.index('--cmake-compiler')
sys.argv.pop(i)
cmake_compiler = sys.argv.pop(i)
elif os.environ.get('COOLPROP_CMAKE_COMPILER'):
cmake_compiler = os.environ.get('COOLPROP_CMAKE_COMPILER')
else:
cmake_compiler = ''
if '--cmake-bitness' in sys.argv:
i = sys.argv.index('--cmake-bitness')
sys.argv.pop(i)
cmake_bitness = sys.argv.pop(i)
elif os.environ.get('COOLPROP_CMAKE_BITNESS'):
cmake_bitness = os.environ.get('COOLPROP_CMAKE_BITNESS')
else:
cmake_bitness = ''
USING_CMAKE = cmake_compiler or cmake_bitness
cmake_config_args = []
STATIC_LIBRARY_BUILT = False
if USING_CMAKE:
if not cmake_compiler:
# Assume default
cmake_compiler = 'default'
# Always force build since any changes in the C++ files will not force a rebuild
touch('CoolProp/CoolProp.pyx')
if 'clean' in sys.argv:
if os.path.exists('cmake_build'):
print('removing cmake_build folder...')
shutil.rmtree('cmake_build')
print('removed.')
cmake_config_args, cmake_build_args = [], []
if cmake_compiler == 'vc9':
cmake_build_args = ['--config', '"Release"']
if cmake_bitness == '32':
cmake_config_args += ['-G', '"Visual Studio 9 2008"']
elif cmake_bitness == '64':
cmake_config_args += ['-G', '"Visual Studio 9 2008 Win64"']
else:
raise ValueError('cmake_bitness must be either 32 or 64; got ' + cmake_bitness)
elif cmake_compiler == 'vc10':
cmake_build_args = ['--config', '"Release"']
if cmake_bitness == '32':
cmake_config_args += ['-G', '"Visual Studio 10 2010"']
elif cmake_bitness == '64':
cmake_config_args += ['-G', '"Visual Studio 10 2010 Win64"']
else:
raise ValueError('cmake_bitness must be either 32 or 64; got ' + cmake_bitness)
elif cmake_compiler == 'vc14':
cmake_build_args = ['--config', '"Release"']
if cmake_bitness == '32':
cmake_config_args += ['-G', '"Visual Studio 14 2015"']
elif cmake_bitness == '64':
cmake_config_args += ['-G', '"Visual Studio 14 2015 Win64"']
else:
raise ValueError('cmake_bitness must be either 32 or 64; got ' + cmake_bitness)
elif cmake_compiler == 'vc15':
cmake_build_args = ['--config', '"Release"']
if cmake_bitness == '32':
cmake_config_args += ['-G', '"Visual Studio 15 2017"']
elif cmake_bitness == '64':
cmake_config_args += ['-G', '"Visual Studio 15 2017 Win64"']
else:
raise ValueError('cmake_bitness must be either 32 or 64; got ' + cmake_bitness)
elif cmake_compiler == 'vc16':
cmake_build_args = ['--config', '"Release"']
if cmake_bitness == '32':
cmake_config_args += ['-G', '"Visual Studio 16 2019"', '-A',
'x86']
elif cmake_bitness == '64':
cmake_config_args += ['-G', '"Visual Studio 16 2019"', '-A',
'x64']
else:
raise ValueError('cmake_bitness must be either 32 or 64; got ' + cmake_bitness)
elif cmake_compiler == 'vc17':
cmake_build_args = ['--config', '"Release"']
if cmake_bitness == '32':
cmake_config_args += ['-G', '"Visual Studio 17 2022"', '-A',
'x86']
elif cmake_bitness == '64':
cmake_config_args += ['-G', '"Visual Studio 17 2022"', '-A',
'x64']
else:
raise ValueError('cmake_bitness must be either 32 or 64; got ' + cmake_bitness)
elif cmake_compiler == 'mingw':
cmake_config_args = ['-G', '"MinGW Makefiles"']
if cmake_bitness == '32':
cmake_config_args += ['-DFORCE_BITNESS_32=ON']
elif cmake_bitness == '64':
cmake_config_args += ['-DFORCE_BITNESS_64=ON']
else:
raise ValueError('cmake_bitness must be either 32 or 64; got ' + cmake_bitness)
elif cmake_compiler == 'default':
cmake_config_args = []
if sys.platform.startswith('win'):
cmake_build_args = ['--config', '"Release"']
if cmake_bitness == '32':
cmake_config_args += ['-DFORCE_BITNESS_32=ON']
elif cmake_bitness == '64':
cmake_config_args += ['-DFORCE_BITNESS_64=ON']
elif cmake_bitness == 'NATIVE':
cmake_config_args += ['-DFORCE_BITNESS_NATIVE=ON']
elif cmake_bitness == 'any':
pass
else:
raise ValueError('cmake_bitness must be either 32 or 64; got ' + cmake_bitness)
else:
raise ValueError('cmake_compiler [' + cmake_compiler + '] is invalid')
# if 'darwin' in sys.platform:
# current_system = Version(platform.mac_ver()[0])
# print("OSX build detected for system {0}".format(current_system))
# #if current_system >= '10.9':
# # cmake_config_args += ["-DDARWIN_USE_LIBCPP=ON"]
# #else:
# # cmake_config_args += ["-DDARWIN_USE_LIBCPP=OFF"]
if 'linux' in sys.platform:
cmake_config_args += ['-DCOOLPROP_FPIC=ON']
# if sys.platform.startswith('win'):
# cmake_config_args += ['-DCOOLPROP_MSVC_STATIC=OFF']
cmake_build_dir = os.path.join('cmake_build', '{compiler}-{bitness}bit'.format(compiler=cmake_compiler, bitness=cmake_bitness))
if not os.path.exists(cmake_build_dir):
os.makedirs(cmake_build_dir)
if 'vc' not in cmake_compiler:
cmake_config_args += ['-DCMAKE_BUILD_TYPE=Release']
cmake_call_string = ' '.join(['cmake', '../../../..', '-DCOOLPROP_STATIC_LIBRARY=ON', '-DCMAKE_VERBOSE_MAKEFILE=ON'] + cmake_config_args)
print('calling: ' + cmake_call_string)
subprocess.check_call(cmake_call_string, shell=True, stdout=sys.stdout, stderr=sys.stderr, cwd=cmake_build_dir)
cmake_build_string = ' '.join(['cmake', '--build', '.', '-j',
str(cpu_count())] + cmake_build_args)
print('calling: ' + cmake_build_string)
subprocess.check_call(cmake_build_string, shell=True, stdout=sys.stdout, stderr=sys.stderr, cwd=cmake_build_dir)
# Now find the static library that we just built
static_libs = []
for search_suffix in ['Release/*.lib', 'Release/*.a', 'Debug/*.lib', 'Debug/*.a', '*.a']:
static_libs += glob.glob(os.path.join(cmake_build_dir, search_suffix))
if len(static_libs) != 1:
raise ValueError("Found more than one static library using CMake build. Found: " + str(static_libs))
else:
STATIC_LIBRARY_BUILT = True
static_library_path = os.path.dirname(static_libs[0])
# Check if a sdist build for pypi
pypi = os.path.exists('.use_this_directory_as_root')
"""
Modes of operation:
1) Building the source distro (generate_headers.py must have been run before making the repo)
2) Installing from source (generate_headers.py must have been run before making the repo)
3) Installing from git repo (need to make sure to run generate_headers.py)
4)
"""
# Determine whether or not to use Cython - default is to use cython unless the file .build_without_cython is found in the current working directory
USE_CYTHON = not os.path.exists('.build_without_cython')
cy_ext = 'pyx' if USE_CYTHON else 'cpp'
if USE_CYTHON:
# Check for cython >= 0.21 due to the use of cpdef enum
try:
import Cython
except ImportError:
raise ImportError("Cython not found, please install it. You can do a pip install Cython")
# Handle different Cython versions
cython_version = str(Version(Cython.__version__))
print('Cython version: ', cython_version)
if cython_version < '0.20':
_profiling_enabled = False
raise ImportError('Your version of Cython (%s) must be >= 0.20 . Please update your version of cython' % (cython_version,))
else:
_profiling_enabled = True
cython_directives = dict(
profile=_profiling_enabled,
embedsignature=True,
language_level=3 if sys.version_info >= (3, 0) else 2,
c_string_type='unicode' if sys.version_info >= (3, 0) else 'unicode',
c_string_encoding='ascii'
)
else:
cython_directives = {}
# Determine the path to the root of the repository, the folder that contains the CMakeLists.txt file
# for normal builds, or the main directory for sdist builds
if pypi:
CProot = '.'
else:
if os.path.exists(os.path.join('..', '..', 'CMakeLists.txt')):
# Good working directory
CProot = os.path.join('..', '..')
else:
raise ValueError('Could not run script from this folder(' + os.path.abspath(os.path.curdir) + '). Run from wrappers/Python folder')
sys.path.append(os.path.join(CProot, 'dev'))
if not USING_CMAKE:
import generate_headers
# Generate the headers - does nothing if up to date - but only if not pypi
generate_headers.generate()
del generate_headers
sys.path.append(str(Path(__file__).parent.absolute()))
import generate_constants_module
generate_constants_module.generate()
del generate_constants_module
# Read the version from a bare string stored in file in root directory
version = open(os.path.join(CProot, '.version'), 'r').read().strip()
setup_kwargs = {
'zip_safe': False # no compressed egg; see http://stackoverflow.com/a/29124937/1360263
}
from setuptools import setup, Extension, find_packages
def get_shared_ptr_setter(base_class):
"""
Get the setter class with the appropriate base class
DEPRECATED!! shared_ptr is no longer found in weird places after standardization
"""
# See https://stackoverflow.com/a/54518348
class shared_ptr_subclass(base_class):
""" Metaclass for overwriting compilation flags """
def set_shared_ptr_flags(self):
from setuptools import CompileError
if sys.platform.startswith('win') and sys.version_info <= (3, 0):
# Hardcode for windows for python 2.7...
more_flags = ['-DSHARED_PTR_TR1_NAMESPACE']
else:
good_index = -1
for ic,contents in enumerate([
"#include <memory> \nusing std::shared_ptr;\n int main() { shared_ptr<int> int_ptr; return 0; }",
"#include <memory> \nusing std::tr1::shared_ptr; \nint main() { shared_ptr<int> int_ptr; return 0;}",
"#include <tr1/memory>\nusing std::tr1::shared_ptr;\nint main() { shared_ptr<int> int_ptr; return 0;}"
]):
with tempfile.NamedTemporaryFile('w', suffix='.cpp', dir='.') as f:
f.write(contents)
f.seek(0)
try:
self.compiler.compile([f.name])
good_index = ic
break
except CompileError:
pass
more_flags = []
if good_index == 0:
print('No shared_ptr flags needed')
return
elif good_index == 1:
more_flags = ['-DSHARED_PTR_TR1_NAMESPACE ']
elif good_index == 2:
more_flags = ['-DSHARED_PTR_TR1_NAMESPACE', '-DSHARED_PTR_TR1_MEMORY_HEADER']
print("Adding these shared_ptr compilation macros:", more_flags)
for ext in self.extensions:
ext.extra_compile_args += more_flags
def build_extensions(self):
self.set_shared_ptr_flags()
build_ext.build_extensions(self)
return shared_ptr_subclass
if USE_CYTHON:
print('Cython will be used; cy_ext is ' + cy_ext)
import Cython.Compiler
from setuptools.extension import Extension
from Cython.Build import cythonize
# setup_kwargs['cmdclass'] = dict(build_ext=get_shared_ptr_setter(build_ext))
# This will always generate HTML to show where there are still pythonic bits hiding out
Cython.Compiler.Options.annotate = True
else:
print('Cython will not be used; cy_ext is ' + cy_ext)
# setup_kwargs['cmdclass'] = dict(build_ext=get_shared_ptr_setter(build_ext))
def find_cpp_sources(root=os.path.join('..', '..', 'src'), extensions=['.cpp'], skip_files=None):
file_listing = []
for path, dirs, files in os.walk(root):
for file in files:
n, ext = os.path.splitext(file)
fname = os.path.relpath(os.path.join(path, file))
if skip_files is not None and fname in skip_files: continue
if ext in extensions:
file_listing.append(fname)
return file_listing
# Set variables for C++ sources and include directories
sources = find_cpp_sources(root=os.path.join(CProot, 'src'), extensions=['.cpp'])
include_dirs = [
os.path.join(CProot),
os.path.join(CProot, 'include'),
os.path.join(CProot, 'src'),
os.path.join(CProot, 'dev'),
os.path.join(CProot, 'externals', 'Eigen'),
# os.path.join(CProot, 'externals', 'fmtlib'), # should be deprecated
os.path.join(CProot, 'externals', 'fmtlib', 'include'),
os.path.join(CProot, 'boost_CoolProp'),
os.path.join(CProot, 'externals', 'incbin'),
os.path.join(CProot, 'externals', 'nlohmann-json'),
os.path.join(CProot, 'externals', 'miniz-3.0.2'),
os.path.join(CProot, 'externals', 'msgpack-c', 'include')]
# If the file is run directly without any parameters, clean, build and install
if len(sys.argv) == 1:
sys.argv += ['clean', 'install']
common_args = dict(include_dirs=include_dirs,
language='c++')
if sys.platform == 'win32':
common_args.update(dict(
extra_compile_args=["/utf-8", "/std:c++17"]
))
else:
common_args.update(dict(extra_compile_args=["-std=c++17"]))
if USE_CYTHON:
common_args.update(dict(cython_c_in_temp=True,
cython_directives=cython_directives
)
)
if STATIC_LIBRARY_BUILT == True:
CoolProp_module = Extension('CoolProp.CoolProp',
[os.path.join('CoolProp', 'CoolProp.' + cy_ext)],
libraries=['CoolProp'],
library_dirs=[static_library_path],
**common_args)
else:
CoolProp_module = Extension('CoolProp.CoolProp',
[os.path.join('CoolProp', 'CoolProp.' + cy_ext)] + sources,
**common_args)
constants_module = Extension('CoolProp._constants',
[os.path.join('CoolProp', '_constants.' + cy_ext)],
**common_args)
if not pypi:
copy_files()
ext_modules = [CoolProp_module, constants_module]
if USE_CYTHON:
ext_modules = cythonize(ext_modules, compiler_directives=cython_directives)
# See https://stackoverflow.com/a/59364990
here = str(Path('.').parent.absolute())
miniz = ('miniz', {'sources': [str(Path(CProot) / 'externals' / 'miniz-3.0.2' / 'miniz.c')], 'build_temp': here})
from setuptools.command.build_clib import build_clib
# This class is needed to work around a bug in build_clib that the temporary folder used as the destination for
# the lib file is not created yet when this gets called in setup, so enforce the folder to be constructed and then
# the paths all resolve properly
class build_clib_with_foldermaking(build_clib):
def build_libraries(self, libraries):
if not os.path.exists(self.build_temp):
os.makedirs(self.build_temp)
build_clib.build_libraries(self, libraries)
try:
setup(name='coolprop',
version=version, # look above for the definition of version variable - don't modify it here
author="Ian Bell",
author_email='ian.h.bell@gmail.com',
url='http://www.coolprop.org',
#install_requires=['msvc_runtime'] if sys.platform.startswith('win') else [], # post-install the C++ runtime for windows will be automatically installed, nothing on other platforms
description="""Open-source thermodynamic and transport properties database""",
packages=find_packages(),
ext_modules=ext_modules,
libraries=[miniz],
package_dir={'CoolProp': 'CoolProp', },
package_data={'CoolProp': ['*.pxd',
'CoolPropBibTeXLibrary.bib',
'Plots/psyrc'] + recursive_collect_includes()},
cmdclass={'build_clib': build_clib_with_foldermaking}, # use our class instead of built-in!
**setup_kwargs
)
except BaseException as E:
if not pypi:
remove_files()
raise
else:
if not pypi:
remove_files()