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Add option to use 64-bit rapidhash for MacOS build #104

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Add option to use 64-bit rapidhash for MacOS build #104

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@msricher msricher commented Mar 6, 2025 •
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Uses 64-bit rapidhash implementation instead of 128-bit spookyhash. For playing around on a Mac laptop, this should be fine.

Sets up spookyhash or rapidhash based on whether the command uname -s outputs 'Darwin' (the MacOS kernel).

@msricher
Add option to use 64-bit rapidhash for MacOS build
9a9c53b 
Uses 64-bit rapidhash implementation instead of 128-bit spookyhash.
For playing around on a Mac laptop, this should be fine.

Sets up spookyhash or rapidhash based on whether
the command `uname -s` outputs 'Darwin' (the MacOS kernal).
@msricher msricher requested review from FanwangM and marco-2023 March 6, 2025 14:18
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FanwangM commented Mar 6, 2025 •
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Thanks for this improvement. I have tried to install the package in a MacOS which ends up with the following errors,

In [1]: import pyci
-------------------------------------------------------------------------
ModuleNotFoundError                     Traceback (most recent call last)
Cell In[1], line 1
----> 1 import pyci

File /xxxx/xxxxx/tmp_py311/lib/python3.11/site-packages/pyci/__init__.py:18
      1 # This file is part of PyCI.
      2 #
      3 # PyCI is free software: you can redistribute it and/or modify it under
   (...)
     13 # You should have received a copy of the GNU General Public License
     14 # along with PyCI. If not, see <http://www.gnu.org/licenses/>.
     16 r"""PyCI module."""
---> 18 from pyci._pyci import __version__, c_long, c_ulong, c_double
     19 from pyci._pyci import secondquant_op, wavefunction, one_spin_wfn, two_spin_wfn
     20 from pyci._pyci import doci_wfn, fullci_wfn, genci_wfn, sparse_op

ModuleNotFoundError: No module named 'pyci._pyci'

The package was installed with pip install . after cloning the package. @msricher

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msricher commented Mar 6, 2025

Ok, this seems to be a problem with file paths. It must need to be installed to different directory, or with a different file extension, for it to work. Although it seems to compile now, which is the hard part.

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msricher commented Mar 6, 2025

Can you try renaming the .so file to .dylib and trying again?

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FanwangM commented Mar 7, 2025 •
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I don't fully understand what you mean by It must need to be installed in a different directory or with a different file extension for it to work. because I installed it with pip install ., which actually installed the pyci in the virtual environment.

Following your suggestions of renaming .so to .dylib, but I was not able to find any .so file from the source or the installed codes. Can you provide more explanations? Thanks.

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msricher commented Mar 7, 2025

The instruction say to run make before pip install ., which compiles the C extension module, pyci.so (or similar name). Can you do that and then try renaming it from .so to .dylib?

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FanwangM commented Mar 7, 2025

yes, I just did that. Currently, I got errors when running make. I tried to install rapidhash manually, but didn't figure out a solution. Any suggestions on how to address the issue? Thanks.

c++ -std=c++14 -Wall -Wextra -pipe -O3 -fPIC -flto=auto -fvisibility=hidden -pthread -Ipyci/include -Ixxxx/tmp_py311/include/python3.11 -Ixxxx/tmp_py311/lib/python3.11/site-packages/numpy/_core/include -Ideps/eigen -Ideps/spectra/include -Ideps/parallel-hashmap -Ideps/pybind11/include -undefined dynamic_lookup -D_PYCI_VERSION='0.6.1' -D_GIT_BRANCH='rapidhash_macos' -D_BUILD_TIME='2025-03-07 18:15:43' -D_COMPILER_VERSION='Apple clang version 16.0.0 (clang-1600.0.26.6)' -D_USE_RAPIDHASH='1' -c pyci/src/SpookyV2.cpp -o pyci/src/SpookyV2.o
clang++: warning: argument unused during compilation: '-undefined dynamic_lookup' [-Wunused-command-line-argument]
c++ -std=c++14 -Wall -Wextra -pipe -O3 -fPIC -flto=auto -fvisibility=hidden -pthread -Ipyci/include -Ixxxx/tmp_py311/include/python3.11 -Ixxxx/tmp_py311/lib/python3.11/site-packages/numpy/_core/include -Ideps/eigen -Ideps/spectra/include -Ideps/parallel-hashmap -Ideps/pybind11/include -undefined dynamic_lookup -D_PYCI_VERSION='0.6.1' -D_GIT_BRANCH='rapidhash_macos' -D_BUILD_TIME='2025-03-07 18:15:43' -D_COMPILER_VERSION='Apple clang version 16.0.0 (clang-1600.0.26.6)' -D_USE_RAPIDHASH='1' -c pyci/src/ap1rog.cpp -o pyci/src/ap1rog.o
clang++: warning: argument unused during compilation: '-undefined dynamic_lookup' [-Wunused-command-line-argument]
In file included from pyci/src/ap1rog.cpp:16:
pyci/include/pyci.h:45:10: fatal error: 'rapidhash.h' file not found
   45 | #include <rapidhash.h>
      |          ^~~~~~~~~~~~~
1 error generated.
make: *** [pyci/src/ap1rog.o] Error 1

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msricher commented Mar 7, 2025 via email

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msricher commented Mar 7, 2025

OK, it should build now. Can you try the latest commit, and then if not, by renaming the .so->.dylib?

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FanwangM commented Mar 8, 2025

Still got errors when run make. Here is part of the error messages,

/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX.sdk/usr/include/c++/v1/__algorithm/sort.h:51:1: note: candidate template ignored: substitution failure [with _AlgPolicy = std::_ClassicAlgPolicy, _Compare = std::__less<void, void> &, _ForwardIterator = std::sort_with_arg::value_iterator_t<double, long>]
   51 | __sort3(_ForwardIterator __x, _ForwardIterator __y, _ForwardIterator __z, _Compare __c) {
      | ^
/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX.sdk/usr/include/c++/v1/__algorithm/sort.h:92:7: error: no matching function for call to object of type 'std::__less<void, void>'
   92 |   if (__c(*__x4, *__x3)) {
      |       ^~~
/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX.sdk/usr/include/c++/v1/__algorithm/comp.h:40:60: note: candidate template ignored: substitution failure [with _Tp = value_reference_t<double, long>, _Up = value_reference_t<double, long>]
   40 |   _LIBCPP_HIDE_FROM_ABI _LIBCPP_CONSTEXPR_SINCE_CXX14 bool operator()(const _Tp& __lhs, const _Up& __rhs) const {
      |                                                            ^
fatal error: too many errors emitted, stopping now [-ferror-limit=]
1 warning and 20 errors generated.
make: *** [pyci/src/sparseop.o] Error 1

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msricher commented Mar 8, 2025

Okay, I can't debug it over messages, I really need access to a Mac or someone with a Mac and proficiency in C++. It might be an issue with the CFLAGS in the Makefile, but I'd have to play around with them. Thanks for trying, though.

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