Enable CUDA builds and apply patches from https://github.com/quantuml…

…ib/qsim - quantumlib/qsim#645 - quantumlib/qsim#646 - quantumlib/qsim#647 - quantumlib/qsim#649
basnijholt · Dec 7, 2023 · 9f8f29e · 9f8f29e
1 parent 6424440
commit 9f8f29e
Show file tree

Hide file tree

Showing 7 changed files with 330 additions and 1 deletion.
diff --git a/recipe/meta.yaml b/recipe/meta.yaml
@@ -8,22 +8,33 @@ package:
 source:
   url: https://github.com/quantumlib/qsim/archive/refs/tags/v{{ version }}.tar.gz
   sha256: 81101fe9e6356e54125f703956e787aa366717c1e6e77aea794879b53c84ff60
+  patches:
+    - recipe/patches/0001-Fix-no-instance-of-constructor-qsim-StateSpaceCUDA-F.patch
+    - recipe/patches/0002-Remove-PUBLIC-from-target_link_libraries-with-OpenMP.patch
+    - recipe/patches/0003-Set-pybind11_INCLUDE_DIRS-correctly-for-CUDA.patch
+    - recipe/patches/0004-Set-PYTHON_INCLUDE_DIR-in-setup.py.patch
+    - recipe/patches/0005-Allow-installing-for-Python-3.12.patch
+    - recipe/patches/0006-Set-CUDA_ARCHITECTURES-all-cmake-policy-CMP0104.patch
 
 build:
   skip: true  # [win]
-  number: 0
+  number: 1
   script: {{ PYTHON }} -m pip install . -vvv --no-deps --no-build-isolation
+  script_env:
+    - CUQUANTUM_ROOT=$PREFIX  # [cuda_compiler_version != "None"]
 
 requirements:
   build:
     - {{ compiler('c') }}
     - {{ compiler('cxx') }}
+    - {{ compiler('cuda') }}  # [cuda_compiler_version != "None"]
     - pybind11-abi
     - llvm-openmp  # [osx]
     - libgomp      # [linux]
     - openmpi
     - cmake >=3.27
     - make
+    - cuquantum-python  # [cuda_compiler_version != "None"]
   host:
     - python
     - pybind11
@@ -38,6 +49,7 @@ requirements:
     - pybind11
     - typing_extensions
     - {{ pin_compatible('numpy') }}
+    - cuquantum-python  # [cuda_compiler_version != "None"]
 
 test:
   imports:

diff --git a/recipe/patches/0001-Fix-no-instance-of-constructor-qsim-StateSpaceCUDA-F.patch b/recipe/patches/0001-Fix-no-instance-of-constructor-qsim-StateSpaceCUDA-F.patch
@@ -0,0 +1,56 @@
+From b804625db8bb78f35260e7e794f6b92a8ce037db Mon Sep 17 00:00:00 2001
+From: Bas Nijholt <[email protected]>
+Date: Wed, 29 Nov 2023 10:16:09 -0800
+Subject: [PATCH 1/3] Fix 'no instance of constructor
+ "qsim::StateSpaceCUDA<FP>::Parameter::Parameter [with FP=float]" matches the
+ argument list'
+
+Full error:
+./pybind_interface/cuda/pybind_main_cuda.cpp(30): error: no instance of constructor "qsim::StateSpaceCUDA<FP>::Parameter::Parameter [with FP=float]" matches the argument list
+---
+ pybind_interface/cuda/pybind_main_cuda.cpp | 6 ++++--
+ 1 file changed, 4 insertions(+), 2 deletions(-)
+
+diff --git a/pybind_interface/cuda/pybind_main_cuda.cpp b/pybind_interface/cuda/pybind_main_cuda.cpp
+index 57b0ba8..7480140 100644
+--- a/pybind_interface/cuda/pybind_main_cuda.cpp
++++ b/pybind_interface/cuda/pybind_main_cuda.cpp
+@@ -27,8 +27,10 @@ namespace qsim {
+       unsigned num_sim_threads,
+       unsigned num_state_threads,
+       unsigned num_dblocks
+-    ) : ss_params{num_state_threads, num_dblocks} {}
+-
++    ) {
++      ss_params.num_threads = num_state_threads;
++      ss_params.num_dblocks = num_dblocks;
++    }
+     StateSpace CreateStateSpace() const {
+       return StateSpace(ss_params);
+     }
+--
+2.39.2
+---
+ pybind_interface/cuda/pybind_main_cuda.cpp | 6 ++++--
+ 1 file changed, 4 insertions(+), 2 deletions(-)
+
+diff --git a/pybind_interface/cuda/pybind_main_cuda.cpp b/pybind_interface/cuda/pybind_main_cuda.cpp
+index 57b0ba8..7480140 100644
+--- a/pybind_interface/cuda/pybind_main_cuda.cpp
++++ b/pybind_interface/cuda/pybind_main_cuda.cpp
+@@ -27,8 +27,10 @@ namespace qsim {
+       unsigned num_sim_threads,
+       unsigned num_state_threads,
+       unsigned num_dblocks
+-    ) : ss_params{num_state_threads, num_dblocks} {}
+-
++    ) {
++      ss_params.num_threads = num_state_threads;
++      ss_params.num_dblocks = num_dblocks;
++    }
+     StateSpace CreateStateSpace() const {
+       return StateSpace(ss_params);
+     }
+-- 
+2.43.0
+
diff --git a/recipe/patches/0002-Remove-PUBLIC-from-target_link_libraries-with-OpenMP.patch b/recipe/patches/0002-Remove-PUBLIC-from-target_link_libraries-with-OpenMP.patch
@@ -0,0 +1,69 @@
+From d0fa7a99e5111ccf072e6ffbff149db72d2ba06d Mon Sep 17 00:00:00 2001
+From: Bas Nijholt <[email protected]>
+Date: Mon, 4 Dec 2023 11:41:19 -0800
+Subject: [PATCH] Remove PUBLIC from target_link_libraries with
+ OpenMP::OpenMP_CXX
+
+Otherwise this could lead to the following problem when building with CUDA:
+```
+  CMake Error at pybind_interface/cuda/CMakeLists.txt:30 (target_link_libraries):
+    The plain signature for target_link_libraries has already been used with
+    the target "qsim_cuda".  All uses of target_link_libraries with a target
+    must be either all-keyword or all-plain.
+
+    The uses of the plain signature are here:
+
+     * /usr/share/cmake-3.16/Modules/FindCUDA.cmake:1836 (target_link_libraries)
+```
+---
+ pybind_interface/cuda/CMakeLists.txt       | 2 +-
+ pybind_interface/custatevec/CMakeLists.txt | 2 +-
+ pybind_interface/decide/CMakeLists.txt     | 4 +++-
+ 3 files changed, 5 insertions(+), 3 deletions(-)
+
+diff --git a/pybind_interface/cuda/CMakeLists.txt b/pybind_interface/cuda/CMakeLists.txt
+index 89df194..e5644d4 100644
+--- a/pybind_interface/cuda/CMakeLists.txt
++++ b/pybind_interface/cuda/CMakeLists.txt
+@@ -27,4 +27,4 @@ set_target_properties(qsim_cuda PROPERTIES
+ )
+ set_source_files_properties(pybind_main_cuda.cpp PROPERTIES LANGUAGE CUDA)
+
+-target_link_libraries(qsim_cuda PUBLIC OpenMP::OpenMP_CXX)
++target_link_libraries(qsim_cuda OpenMP::OpenMP_CXX)
+diff --git a/pybind_interface/custatevec/CMakeLists.txt b/pybind_interface/custatevec/CMakeLists.txt
+index 77fe663..8c1d387 100644
+--- a/pybind_interface/custatevec/CMakeLists.txt
++++ b/pybind_interface/custatevec/CMakeLists.txt
+@@ -45,4 +45,4 @@ set_target_properties(qsim_custatevec PROPERTIES
+ )
+ set_source_files_properties(pybind_main_custatevec.cpp PROPERTIES LANGUAGE CUDA)
+
+-target_link_libraries(qsim_custatevec PUBLIC OpenMP::OpenMP_CXX)
++target_link_libraries(qsim_custatevec OpenMP::OpenMP_CXX)
+diff --git a/pybind_interface/decide/CMakeLists.txt b/pybind_interface/decide/CMakeLists.txt
+index 15d5170..6b36282 100644
+--- a/pybind_interface/decide/CMakeLists.txt
++++ b/pybind_interface/decide/CMakeLists.txt
+@@ -30,6 +30,7 @@ if(has_nvcc)
+             SUFFIX "${PYTHON_MODULE_EXTENSION}"
+     )
+     set_source_files_properties(decide.cpp PROPERTIES LANGUAGE CUDA)
++    target_link_libraries(qsim_decide OpenMP::OpenMP_CXX)
+ elseif(has_hipcc)
+     list(APPEND CMAKE_MODULE_PATH "/opt/rocm/lib/cmake/hip")
+     find_package(HIP REQUIRED)
+@@ -41,8 +42,9 @@ elseif(has_hipcc)
+             PREFIX "${PYTHON_MODULE_PREFIX}"
+             SUFFIX "${PYTHON_MODULE_EXTENSION}"
+     )
++    target_link_libraries(qsim_decide PUBLIC OpenMP::OpenMP_CXX)
+ else()
+     pybind11_add_module(qsim_decide decide.cpp)
++    target_link_libraries(qsim_decide PUBLIC OpenMP::OpenMP_CXX)
+ endif()
+
+-target_link_libraries(qsim_decide PUBLIC OpenMP::OpenMP_CXX)
+-- 
+2.43.0
+
diff --git a/recipe/patches/0003-Set-pybind11_INCLUDE_DIRS-correctly-for-CUDA.patch b/recipe/patches/0003-Set-pybind11_INCLUDE_DIRS-correctly-for-CUDA.patch
@@ -0,0 +1,39 @@
+From 19a59821e9d8802a7977b931e4de04d1aaab5035 Mon Sep 17 00:00:00 2001
+From: Bas Nijholt <[email protected]>
+Date: Wed, 29 Nov 2023 15:10:09 -0500
+Subject: [PATCH 3/3] Set pybind11_INCLUDE_DIRS correctly for CUDA
+
+---
+ pybind_interface/cuda/CMakeLists.txt | 13 +++++++++----
+ 1 file changed, 9 insertions(+), 4 deletions(-)
+
+diff --git a/pybind_interface/cuda/CMakeLists.txt b/pybind_interface/cuda/CMakeLists.txt
+index 9bd369a..e8c0e70 100644
+--- a/pybind_interface/cuda/CMakeLists.txt
++++ b/pybind_interface/cuda/CMakeLists.txt
+@@ -18,13 +18,18 @@ INCLUDE(../GetPybind11.cmake)
+ find_package(PythonLibs 3.7 REQUIRED)
+ find_package(CUDA REQUIRED)
+
+-include_directories(${PYTHON_INCLUDE_DIRS} ${pybind11_SOURCE_DIR}/include)
++include_directories(${PYTHON_INCLUDE_DIRS})
++if(pybind11_FOUND)
++    include_directories(${pybind11_INCLUDE_DIRS})
++else()  # means pybind11 has been fetched in GetPybind11.cmake
++    include_directories(${pybind11_SOURCE_DIR}/include)
++endif()
+
+ cuda_add_library(qsim_cuda MODULE pybind_main_cuda.cpp)
+ set_target_properties(qsim_cuda PROPERTIES
+-       CUDA_ARCHITECTURES "all"
+-       PREFIX "${PYTHON_MODULE_PREFIX}"
+-       SUFFIX "${PYTHON_MODULE_EXTENSION}"
++    CUDA_ARCHITECTURES "all"
++    PREFIX "${PYTHON_MODULE_PREFIX}"
++    SUFFIX "${PYTHON_MODULE_EXTENSION}"
+ )
+ set_source_files_properties(pybind_main_cuda.cpp PROPERTIES LANGUAGE CUDA)
+
+-- 
+2.43.0
+
diff --git a/recipe/patches/0004-Set-PYTHON_INCLUDE_DIR-in-setup.py.patch b/recipe/patches/0004-Set-PYTHON_INCLUDE_DIR-in-setup.py.patch
@@ -0,0 +1,47 @@
+From 34cab62e7d4b76a7282fe79993c3ce74354cf40d Mon Sep 17 00:00:00 2001
+From: Bas Nijholt <[email protected]>
+Date: Tue, 5 Dec 2023 13:14:23 -0800
+Subject: [PATCH] Set PYTHON_INCLUDE_DIR in setup.py
+
+Prevents
+```
+      CMake Error at /home/bas.nijholt/micromamba/envs/qsim/share/cmake-3.27/Modules/FindPackageHandleStandardArgs.cmake:230 (message):
+        Could NOT find PythonLibs (missing: PYTHON_INCLUDE_DIRS) (Required is at
+        least version "3.7")
+      Call Stack (most recent call first):
+        /home/bas.nijholt/micromamba/envs/qsim/share/cmake-3.27/Modules/FindPackageHandleStandardArgs.cmake:600 (_FPHSA_FAILURE_MESSAGE)
+        /home/bas.nijholt/micromamba/envs/qsim/share/cmake-3.27/Modules/FindPythonLibs.cmake:323 (FIND_PACKAGE_HANDLE_STANDARD_ARGS)
+        pybind_interface/cuda/CMakeLists.txt:18 (find_package)
+```
+---
+ setup.py | 3 +++
+ 1 file changed, 3 insertions(+)
+
+diff --git a/setup.py b/setup.py
+index ed4720c..1cb2ec5 100644
+--- a/setup.py
++++ b/setup.py
+@@ -4,6 +4,7 @@ import sys
+ import shutil
+ import platform
+ import subprocess
++import sysconfig
+
+ from setuptools import setup, Extension
+ from setuptools.command.build_ext import build_ext
+@@ -38,10 +39,12 @@ class CMakeBuild(build_ext):
+
+     def build_extension(self, ext):
+         extdir = os.path.abspath(os.path.dirname(self.get_ext_fullpath(ext.name)))
++        python_include_dir = sysconfig.get_path("include")
+         cmake_args = [
+             "-DCMAKE_CUDA_COMPILER=nvcc",
+             "-DCMAKE_LIBRARY_OUTPUT_DIRECTORY=" + extdir,
+             "-DPYTHON_EXECUTABLE=" + sys.executable,
++            "-DPYTHON_INCLUDE_DIR=" + python_include_dir,
+         ]
+
+         cfg = "Debug" if self.debug else "Release"
+-- 
+2.43.0
+
diff --git a/recipe/patches/0005-Allow-installing-for-Python-3.12.patch b/recipe/patches/0005-Allow-installing-for-Python-3.12.patch
@@ -0,0 +1,26 @@
+From dd26233a6b5cdfe36d855c7127cfad9bcdfc9e68 Mon Sep 17 00:00:00 2001
+From: Bas Nijholt <[email protected]>
+Date: Thu, 7 Dec 2023 08:54:39 -0800
+Subject: [PATCH] Allow installing for Python 3.12
+
+I have tested qsim on Python 3.12 and everything works just fine.
+---
+ setup.py | 2 +-
+ 1 file changed, 1 insertion(+), 1 deletion(-)
+
+diff --git a/setup.py b/setup.py
+index ed4720c..70ebca4 100644
+--- a/setup.py
++++ b/setup.py
+@@ -114,7 +114,7 @@ setup(
+     url="https://github.com/quantumlib/qsim",
+     author="Vamsi Krishna Devabathini",
+     author_email="[email protected]",
+-    python_requires=">=3.7.0,<3.12.0",
++    python_requires=">=3.7.0",
+     install_requires=requirements,
+     extras_require={
+         "dev": dev_requirements,
+-- 
+2.43.0
+
diff --git a/recipe/patches/0006-Set-CUDA_ARCHITECTURES-all-cmake-policy-CMP0104.patch b/recipe/patches/0006-Set-CUDA_ARCHITECTURES-all-cmake-policy-CMP0104.patch
@@ -0,0 +1,80 @@
+From dff3a3726270a90c3654e53c7f623f4ae63e9703 Mon Sep 17 00:00:00 2001
+From: Bas Nijholt <[email protected]>
+Date: Wed, 29 Nov 2023 15:07:28 -0500
+Subject: [PATCH 2/3] Set CUDA_ARCHITECTURES "all" (cmake-policy CMP0104)
+
+---
+ pybind_interface/cuda/CMakeLists.txt       |  3 ++-
+ pybind_interface/custatevec/CMakeLists.txt |  4 ++--
+ pybind_interface/decide/CMakeLists.txt     | 11 ++++++-----
+ 3 files changed, 10 insertions(+), 8 deletions(-)
+
+diff --git a/pybind_interface/cuda/CMakeLists.txt b/pybind_interface/cuda/CMakeLists.txt
+index 89df194..9bd369a 100644
+--- a/pybind_interface/cuda/CMakeLists.txt
++++ b/pybind_interface/cuda/CMakeLists.txt
+@@ -1,4 +1,4 @@
+-cmake_minimum_required(VERSION 3.11)
++cmake_minimum_required(VERSION 3.18)
+ project(qsim LANGUAGES CXX CUDA)
+
+ if(WIN32)
+@@ -22,6 +22,7 @@ include_directories(${PYTHON_INCLUDE_DIRS} ${pybind11_SOURCE_DIR}/include)
+
+ cuda_add_library(qsim_cuda MODULE pybind_main_cuda.cpp)
+ set_target_properties(qsim_cuda PROPERTIES
++       CUDA_ARCHITECTURES "all"
+        PREFIX "${PYTHON_MODULE_PREFIX}"
+        SUFFIX "${PYTHON_MODULE_EXTENSION}"
+ )
+diff --git a/pybind_interface/custatevec/CMakeLists.txt b/pybind_interface/custatevec/CMakeLists.txt
+index 77fe663..456f5bd 100644
+--- a/pybind_interface/custatevec/CMakeLists.txt
++++ b/pybind_interface/custatevec/CMakeLists.txt
+@@ -40,8 +40,8 @@ cuda_add_library(qsim_custatevec MODULE pybind_main_custatevec.cpp)
+ target_link_libraries(qsim_custatevec -lcustatevec -lcublas)
+
+ set_target_properties(qsim_custatevec PROPERTIES
+-       PREFIX "${PYTHON_MODULE_PREFIX}"
+-       SUFFIX "${PYTHON_MODULE_EXTENSION}"
++    PREFIX "${PYTHON_MODULE_PREFIX}"
++    SUFFIX "${PYTHON_MODULE_EXTENSION}"
+ )
+ set_source_files_properties(pybind_main_custatevec.cpp PROPERTIES LANGUAGE CUDA)
+
+diff --git a/pybind_interface/decide/CMakeLists.txt b/pybind_interface/decide/CMakeLists.txt
+index 15d5170..0f92919 100644
+--- a/pybind_interface/decide/CMakeLists.txt
++++ b/pybind_interface/decide/CMakeLists.txt
+@@ -1,4 +1,4 @@
+-cmake_minimum_required(VERSION 3.11)
++cmake_minimum_required(VERSION 3.18)
+
+ if(WIN32)
+     set(CMAKE_CXX_FLAGS "/O2 /openmp")
+@@ -26,8 +26,9 @@ if(has_nvcc)
+     find_package(Python3 3.7 REQUIRED COMPONENTS Interpreter Development)
+     include_directories(${PYTHON_INCLUDE_DIRS} ${pybind11_SOURCE_DIR}/include)
+     set_target_properties(qsim_decide PROPERTIES
+-            PREFIX "${PYTHON_MODULE_PREFIX}"
+-            SUFFIX "${PYTHON_MODULE_EXTENSION}"
++        CUDA_ARCHITECTURES "all"
++        PREFIX "${PYTHON_MODULE_PREFIX}"
++        SUFFIX "${PYTHON_MODULE_EXTENSION}"
+     )
+     set_source_files_properties(decide.cpp PROPERTIES LANGUAGE CUDA)
+ elseif(has_hipcc)
+@@ -38,8 +39,8 @@ elseif(has_hipcc)
+     find_package(Python3 3.7 REQUIRED COMPONENTS Interpreter Development)
+     include_directories(${PYTHON_INCLUDE_DIRS} ${pybind11_SOURCE_DIR}/include)
+     set_target_properties(qsim_decide PROPERTIES
+-            PREFIX "${PYTHON_MODULE_PREFIX}"
+-            SUFFIX "${PYTHON_MODULE_EXTENSION}"
++        PREFIX "${PYTHON_MODULE_PREFIX}"
++        SUFFIX "${PYTHON_MODULE_EXTENSION}"
+     )
+ else()
+     pybind11_add_module(qsim_decide decide.cpp)
+-- 
+2.43.0
+