From 271d10aec77fcfce9e3769a5482fa852f3d92fc9 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 10:53:20 +0200
Subject: [PATCH 01/31] First take on a pip install script

---
 .github/workflows/ci.yml |  10 +++
 pyproject.toml           |  10 +++
 setup.py                 | 172 +++++++++++++++++++++++++++++++++++++++
 3 files changed, 192 insertions(+)
 create mode 100644 pyproject.toml
 create mode 100644 setup.py

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 760f69b..3561eb3 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -129,3 +129,13 @@ jobs:
         conda activate nnpops
         cd build
         ctest --verbose --exclude-regex TestCuda
+        
+    - name: Pip build (without CUDA)
+      if: ${{ !matrix.enable_cuda }}
+      run: |
+        pip -vvv wheel --wheel-dir=$(pwd) nnpops --extra-index-url https://download.pytorch.org/whl/cpu
+    - name: Pip build (with CUDA)
+      if: ${{ matrix.enable_cuda }}
+      run: |
+        ENABLE_CUDA=ON pip -vvv wheel --wheel-dir=$(pwd) nnpops
+        
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 0000000..bf7ea6e
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,10 @@
+[build-system]
+requires = [
+    "setuptools>=42",
+    "wheel",
+    "ninja",
+    "cmake>=3.23",
+    "torch>=1.12",
+    "GitPython"
+]
+build-backend = "setuptools.build_meta"
diff --git a/setup.py b/setup.py
new file mode 100644
index 0000000..cbfab87
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,172 @@
+import os
+import re
+import subprocess
+import sys
+from pathlib import Path
+import git
+from setuptools import Extension, setup
+from setuptools.command.build_ext import build_ext
+import torch
+
+from typing import Optional
+# Convert distutils Windows platform specifiers to CMake -A arguments
+PLAT_TO_CMAKE = {
+    "win32": "Win32",
+    "win-amd64": "x64",
+    "win-arm32": "ARM",
+    "win-arm64": "ARM64",
+}
+
+# A CMakeExtension needs a sourcedir instead of a file list.
+# The name must be the _single_ output extension from the CMake build.
+# If you need multiple extensions, see scikit-build.
+class CMakeExtension(Extension):
+    def __init__(self, name: str, sourcedir: str = "", extra_args: Optional[dict[str, str]] = None) -> None:
+        super().__init__(name, sources=[])
+        self.sourcedir = os.fspath(Path(sourcedir).resolve())
+        #Store a list of extra arguments to pass to CMake, prepend -D to each
+        self.extra_args = extra_args
+        self.extra_args = ([f"-D{key}={value}" for key, value in extra_args.items()] if extra_args else [""])
+
+
+
+class CMakeBuild(build_ext):
+    def build_extension(self, ext: CMakeExtension) -> None:
+        # Must be in this form due to bug in .resolve() only fixed in Python 3.10+
+        ext_fullpath = Path.cwd() / self.get_ext_fullpath(ext.name)
+        extdir = ext_fullpath.parent.resolve()
+
+        # Using this requires trailing slash for auto-detection & inclusion of
+        # auxiliary "native" libs
+
+        debug = int(os.environ.get("DEBUG", 0)) if self.debug is None else self.debug
+        cfg = "Debug" if debug else "Release"
+
+        # CMake lets you override the generator - we need to check this.
+        # Can be set with Conda-Build, for example.
+        cmake_generator = os.environ.get("CMAKE_GENERATOR", "make")
+
+        # Set Python_EXECUTABLE instead if you use PYBIND11_FINDPYTHON
+        # EXAMPLE_VERSION_INFO shows you how to pass a value into the C++ code
+        # from Python.
+        cmake_args = [
+            f"-DCMAKE_LIBRARY_OUTPUT_DIRECTORY={extdir}{os.sep}",
+            f"-DPYTHON_EXECUTABLE={sys.executable}",
+            f"-DCMAKE_BUILD_TYPE={cfg}",  # not used on MSVC, but no harm
+        ]
+        build_args = []
+        # Adding CMake arguments set as environment variable
+        # (needed e.g. to build for ARM OSx on conda-forge)
+        if "CMAKE_ARGS" in os.environ:
+            cmake_args += [item for item in os.environ["CMAKE_ARGS"].split(" ") if item]
+
+        # In this example, we pass in the version to C++. You might not need to.
+        cmake_args += [f"-DEXAMPLE_VERSION_INFO={self.distribution.get_version()}"]
+
+        if self.compiler.compiler_type != "msvc":
+            # Using Ninja-build since it a) is available as a wheel and b)
+            # multithreads automatically. MSVC would require all variables be
+            # exported for Ninja to pick it up, which is a little tricky to do.
+            # Users can override the generator with CMAKE_GENERATOR in CMake
+            # 3.15+.
+            if not cmake_generator or cmake_generator == "Ninja":
+                try:
+                    import ninja
+
+                    ninja_executable_path = Path(ninja.BIN_DIR) / "ninja"
+                    cmake_args += [
+                        "-GNinja",
+                        f"-DCMAKE_MAKE_PROGRAM:FILEPATH={ninja_executable_path}",
+                    ]
+                except ImportError:
+                    pass
+
+        else:
+            # Single config generators are handled "normally"
+            single_config = any(x in cmake_generator for x in {"NMake", "Ninja"})
+
+            # CMake allows an arch-in-generator style for backward compatibility
+            contains_arch = any(x in cmake_generator for x in {"ARM", "Win64"})
+
+            # Specify the arch if using MSVC generator, but only if it doesn't
+            # contain a backward-compatibility arch spec already in the
+            # generator name.
+            if not single_config and not contains_arch:
+                cmake_args += ["-A", PLAT_TO_CMAKE[self.plat_name]]
+
+            # Multi-config generators have a different way to specify configs
+            if not single_config:
+                cmake_args += [
+                    f"-DCMAKE_LIBRARY_OUTPUT_DIRECTORY_{cfg.upper()}={extdir}"
+                ]
+                build_args += ["--config", cfg]
+
+        if sys.platform.startswith("darwin"):
+            # Cross-compile support for macOS - respect ARCHFLAGS if set
+            archs = re.findall(r"-arch (\S+)", os.environ.get("ARCHFLAGS", ""))
+            if archs:
+                cmake_args += ["-DCMAKE_OSX_ARCHITECTURES={}".format(";".join(archs))]
+        cmake_args += ext.extra_args
+        # Set CMAKE_BUILD_PARALLEL_LEVEL to control the parallel build level
+        # across all generators.
+        if "CMAKE_BUILD_PARALLEL_LEVEL" not in os.environ:
+            # self.parallel is a Python 3 only way to set parallel jobs by hand
+            # using -j in the build_ext call, not supported by pip or PyPA-build.
+            if hasattr(self, "parallel") and self.parallel:
+                # CMake 3.12+ only.
+                build_args += [f"-j{self.parallel}"]
+
+        build_temp = Path(self.build_temp) / ext.name
+        if not build_temp.exists():
+            build_temp.mkdir(parents=True)
+
+        subprocess.run(
+            ["cmake", ext.sourcedir, *cmake_args], cwd=build_temp, check=True
+        )
+        subprocess.run(
+            ["cmake", "--build", ".", *build_args], cwd=build_temp, check=True
+        )
+
+extra_args = {}
+
+extra_args["CMAKE_C_COMPILER"] = os.environ.get("CC", "")
+extra_args["CMAKE_CXX_COMPILER"] = os.environ.get("CXX", "")
+#If ENABLE_CUDA is in the env
+if "ENABLE_CUDA" in os.environ:
+    extra_args["ENABLE_CUDA"] = "ON"
+    ARCHES = [52, 60, 61, 70]
+    DEPRECATED_IN_11 = [35, 50]
+    cuda_version_major= int(torch.version.cuda.split(".")[0])
+    cuda_version_minor= int(torch.version.cuda.split(".")[1])
+    if cuda_version_major >= 11 or (cuda_version_major == 11 and cuda_version_minor >= 1):
+        LATEST_ARCH = 90
+        ARCHES += [75, 80, 86]
+    elif cuda_version_major == 11 and cuda_version_minor >= 1:
+        LATEST_ARCH = 86
+        ARCHES += [75, 80]
+    elif cuda_version_major == 11 and cuda_version_minor >= 0:
+        LATEST_ARCH = 80
+        ARCHES += [75]
+    elif cuda_version_major >= 10:
+        LATEST_ARCH = 75
+        ARCHES = DEPRECATED_IN_11 + ARCHES
+    else:
+        raise RuntimeError("Unsupported CUDA version")
+    CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
+    extra_args["CMAKE_CUDA_ARCHITECTURES"] = "50"
+    extra_args["CMAKE_CUDA_HOST_COMPILER"] = extra_args["CMAKE_CXX_COMPILER"]
+else:
+    extra_args["ENABLE_CUDA"] = "OFF"
+
+extra_args["CMAKE_PREFIX_PATH"] = torch.utils.cmake_prefix_path
+tag = git.Repo(search_parent_directories=True).git.describe("--tags", always=True)
+version = tag.lstrip('v').split('-')[0]
+setup(
+    name="nnpops",
+    version=version,
+    ext_modules=[CMakeExtension("cmake_example", ".", extra_args)],
+    cmdclass={"build_ext": CMakeBuild},
+    zip_safe=False,
+    extras_require={"test": ["pytest>=6.0"]},
+    python_requires=">=3.7",
+)

From 78640ce0b7db0690b25a6113fa92915dfc7f849f Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 12:00:02 +0200
Subject: [PATCH 02/31] Ask torch if cuda is available

---
 setup.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/setup.py b/setup.py
index cbfab87..2116f15 100644
--- a/setup.py
+++ b/setup.py
@@ -131,8 +131,7 @@ def build_extension(self, ext: CMakeExtension) -> None:
 
 extra_args["CMAKE_C_COMPILER"] = os.environ.get("CC", "")
 extra_args["CMAKE_CXX_COMPILER"] = os.environ.get("CXX", "")
-#If ENABLE_CUDA is in the env
-if "ENABLE_CUDA" in os.environ:
+if torch.backends.cuda.is_built():
     extra_args["ENABLE_CUDA"] = "ON"
     ARCHES = [52, 60, 61, 70]
     DEPRECATED_IN_11 = [35, 50]

From b50fe87ee33d5f6bd178db35a049ee25023300f2 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 12:00:12 +0200
Subject: [PATCH 03/31] Update ci

---
 .github/workflows/ci.yml | 21 +++++++++++----------
 1 file changed, 11 insertions(+), 10 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 3561eb3..37b54ed 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -114,6 +114,16 @@ jobs:
         conda activate nnpops
         conda list
 
+    - name: Pip build (without CUDA)
+      if: ${{ !matrix.enable_cuda }}
+      run: |
+        pip -vvv wheel --wheel-dir=$(pwd) . --extra-index-url https://download.pytorch.org/whl/cpu 
+        
+    - name: Pip build (with CUDA)
+      if: ${{ matrix.enable_cuda }}
+      run: |
+        pip -vvv wheel --wheel-dir=$(pwd) . 
+
     - name: Configure, compile, and install
       run: |
         conda activate nnpops
@@ -129,13 +139,4 @@ jobs:
         conda activate nnpops
         cd build
         ctest --verbose --exclude-regex TestCuda
-        
-    - name: Pip build (without CUDA)
-      if: ${{ !matrix.enable_cuda }}
-      run: |
-        pip -vvv wheel --wheel-dir=$(pwd) nnpops --extra-index-url https://download.pytorch.org/whl/cpu
-    - name: Pip build (with CUDA)
-      if: ${{ matrix.enable_cuda }}
-      run: |
-        ENABLE_CUDA=ON pip -vvv wheel --wheel-dir=$(pwd) nnpops
-        
+                

From 3a9a2b18d6fe4c7565abd353ac57d161a7c1b64e Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 12:10:25 +0200
Subject: [PATCH 04/31] Hardcode version to 0.5

---
 setup.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/setup.py b/setup.py
index 2116f15..e52fe31 100644
--- a/setup.py
+++ b/setup.py
@@ -158,8 +158,9 @@ def build_extension(self, ext: CMakeExtension) -> None:
     extra_args["ENABLE_CUDA"] = "OFF"
 
 extra_args["CMAKE_PREFIX_PATH"] = torch.utils.cmake_prefix_path
-tag = git.Repo(search_parent_directories=True).git.describe("--tags", always=True)
-version = tag.lstrip('v').split('-')[0]
+#tag = git.Repo(search_parent_directories=True).git.describe("--tags", always=True)
+#version = tag.lstrip('v').split('-')[0]
+version = "0.5"
 setup(
     name="nnpops",
     version=version,

From c28aa60c9fa4d19a47da7308de12decd030849f5 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 12:34:54 +0200
Subject: [PATCH 05/31] Let pip find gcc

---
 setup.py | 4 +---
 1 file changed, 1 insertion(+), 3 deletions(-)

diff --git a/setup.py b/setup.py
index e52fe31..2eb0995 100644
--- a/setup.py
+++ b/setup.py
@@ -129,8 +129,6 @@ def build_extension(self, ext: CMakeExtension) -> None:
 
 extra_args = {}
 
-extra_args["CMAKE_C_COMPILER"] = os.environ.get("CC", "")
-extra_args["CMAKE_CXX_COMPILER"] = os.environ.get("CXX", "")
 if torch.backends.cuda.is_built():
     extra_args["ENABLE_CUDA"] = "ON"
     ARCHES = [52, 60, 61, 70]
@@ -153,7 +151,7 @@ def build_extension(self, ext: CMakeExtension) -> None:
         raise RuntimeError("Unsupported CUDA version")
     CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
     extra_args["CMAKE_CUDA_ARCHITECTURES"] = "50"
-    extra_args["CMAKE_CUDA_HOST_COMPILER"] = extra_args["CMAKE_CXX_COMPILER"]
+    #extra_args["CMAKE_CUDA_HOST_COMPILER"] = extra_args["CMAKE_CXX_COMPILER"]
 else:
     extra_args["ENABLE_CUDA"] = "OFF"
 

From 97e9d946ebf45802827a4e43ebac2f133b96e462 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 12:44:57 +0200
Subject: [PATCH 06/31] Do not specify a wheel dir

---
 .github/workflows/ci.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 37b54ed..607f9f4 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -117,12 +117,12 @@ jobs:
     - name: Pip build (without CUDA)
       if: ${{ !matrix.enable_cuda }}
       run: |
-        pip -vvv wheel --wheel-dir=$(pwd) . --extra-index-url https://download.pytorch.org/whl/cpu 
+        pip -vvv wheel  . --extra-index-url https://download.pytorch.org/whl/cpu 
         
     - name: Pip build (with CUDA)
       if: ${{ matrix.enable_cuda }}
       run: |
-        pip -vvv wheel --wheel-dir=$(pwd) . 
+        pip -vvv wheel . 
 
     - name: Configure, compile, and install
       run: |

From b5a733857dae7343a30de52000f5300b4c7ae110 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 12:49:41 +0200
Subject: [PATCH 07/31] Change the name of the pip build directory

---
 .github/workflows/ci.yml | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 607f9f4..0bb47ca 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -117,12 +117,14 @@ jobs:
     - name: Pip build (without CUDA)
       if: ${{ !matrix.enable_cuda }}
       run: |
-        pip -vvv wheel  . --extra-index-url https://download.pytorch.org/whl/cpu 
+        pip -vvv wheel --wheel-dir=$(pwd) -b build_pip . --extra-index-url https://download.pytorch.org/whl/cpu
+        rm -rf build
         
     - name: Pip build (with CUDA)
       if: ${{ matrix.enable_cuda }}
       run: |
-        pip -vvv wheel . 
+        pip -vvv wheel --wheel-dir=$(pwd) -b build_pip .
+        rm -rf build_pip
 
     - name: Configure, compile, and install
       run: |

From cd2454101fdb4c8b0aa10cbe7d7d6923a8a28797 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 13:11:57 +0200
Subject: [PATCH 08/31] Remove build directory after pip

---
 .github/workflows/ci.yml | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 0bb47ca..eacb1b4 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -117,14 +117,14 @@ jobs:
     - name: Pip build (without CUDA)
       if: ${{ !matrix.enable_cuda }}
       run: |
-        pip -vvv wheel --wheel-dir=$(pwd) -b build_pip . --extra-index-url https://download.pytorch.org/whl/cpu
+        pip -vvv wheel --wheel-dir=$(pwd) . --extra-index-url https://download.pytorch.org/whl/cpu
         rm -rf build
         
     - name: Pip build (with CUDA)
       if: ${{ matrix.enable_cuda }}
       run: |
-        pip -vvv wheel --wheel-dir=$(pwd) -b build_pip .
-        rm -rf build_pip
+        pip -vvv wheel --wheel-dir=$(pwd) .
+        rm -rf build
 
     - name: Configure, compile, and install
       run: |

From e05dff0a12038618cbba4b82d254340560dc6a18 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 13:34:28 +0200
Subject: [PATCH 09/31] Activate nnpops env

---
 .github/workflows/ci.yml | 2 ++
 setup.py                 | 5 ++++-
 2 files changed, 6 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index eacb1b4..d19a78b 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -117,12 +117,14 @@ jobs:
     - name: Pip build (without CUDA)
       if: ${{ !matrix.enable_cuda }}
       run: |
+        conda activate nnpops
         pip -vvv wheel --wheel-dir=$(pwd) . --extra-index-url https://download.pytorch.org/whl/cpu
         rm -rf build
         
     - name: Pip build (with CUDA)
       if: ${{ matrix.enable_cuda }}
       run: |
+        conda activate nnpops
         pip -vvv wheel --wheel-dir=$(pwd) .
         rm -rf build
 
diff --git a/setup.py b/setup.py
index 2eb0995..83ad6f7 100644
--- a/setup.py
+++ b/setup.py
@@ -129,6 +129,10 @@ def build_extension(self, ext: CMakeExtension) -> None:
 
 extra_args = {}
 
+if "CC" in os.environ:
+    extra_args["CMAKE_C_COMPILER"] = os.environ.get("CC", "")
+if "CXX" in os.environ:
+    extra_args["CMAKE_CXX_COMPILER"] = os.environ.get("CXX", "")
 if torch.backends.cuda.is_built():
     extra_args["ENABLE_CUDA"] = "ON"
     ARCHES = [52, 60, 61, 70]
@@ -151,7 +155,6 @@ def build_extension(self, ext: CMakeExtension) -> None:
         raise RuntimeError("Unsupported CUDA version")
     CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
     extra_args["CMAKE_CUDA_ARCHITECTURES"] = "50"
-    #extra_args["CMAKE_CUDA_HOST_COMPILER"] = extra_args["CMAKE_CXX_COMPILER"]
 else:
     extra_args["ENABLE_CUDA"] = "OFF"
 

From 5779ad22d2510a81ff49baeeb222e6c52071cc37 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 15:02:35 +0200
Subject: [PATCH 10/31] Small changes to setup.py

---
 setup.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/setup.py b/setup.py
index 83ad6f7..b369d3c 100644
--- a/setup.py
+++ b/setup.py
@@ -25,8 +25,7 @@ def __init__(self, name: str, sourcedir: str = "", extra_args: Optional[dict[str
         super().__init__(name, sources=[])
         self.sourcedir = os.fspath(Path(sourcedir).resolve())
         #Store a list of extra arguments to pass to CMake, prepend -D to each
-        self.extra_args = extra_args
-        self.extra_args = ([f"-D{key}={value}" for key, value in extra_args.items()] if extra_args else [""])
+        self.extra_args = [f"-D{key}={value}" for key, value in extra_args.items()] if extra_args else []
 
 
 
@@ -150,7 +149,7 @@ def build_extension(self, ext: CMakeExtension) -> None:
         ARCHES += [75]
     elif cuda_version_major >= 10:
         LATEST_ARCH = 75
-        ARCHES = DEPRECATED_IN_11 + ARCHES
+        ARCHES += DEPRECATED_IN_11
     else:
         raise RuntimeError("Unsupported CUDA version")
     CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])

From 7571e138645b3f0a1253abedfd5612f9d60b7742 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 15:18:42 +0200
Subject: [PATCH 11/31] Add cuda archs

---
 setup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.py b/setup.py
index b369d3c..749f12a 100644
--- a/setup.py
+++ b/setup.py
@@ -153,7 +153,7 @@ def build_extension(self, ext: CMakeExtension) -> None:
     else:
         raise RuntimeError("Unsupported CUDA version")
     CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
-    extra_args["CMAKE_CUDA_ARCHITECTURES"] = "50"
+    extra_args["CMAKE_CUDA_ARCHITECTURES"] = CMAKE_CUDA_ARCHS
 else:
     extra_args["ENABLE_CUDA"] = "OFF"
 

From 0080796a28f3616b2bf73987e99c6658893afdac Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 15:48:29 +0200
Subject: [PATCH 12/31] Update setup.py and toml

---
 pyproject.toml | 1 +
 setup.py       | 9 ++++-----
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/pyproject.toml b/pyproject.toml
index bf7ea6e..e663411 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -8,3 +8,4 @@ requires = [
     "GitPython"
 ]
 build-backend = "setuptools.build_meta"
+python_requires = ">=3.7"
\ No newline at end of file
diff --git a/setup.py b/setup.py
index 749f12a..08bd194 100644
--- a/setup.py
+++ b/setup.py
@@ -25,6 +25,8 @@ def __init__(self, name: str, sourcedir: str = "", extra_args: Optional[dict[str
         super().__init__(name, sources=[])
         self.sourcedir = os.fspath(Path(sourcedir).resolve())
         #Store a list of extra arguments to pass to CMake, prepend -D to each
+        if extra_args is not None:
+            print("Extra args: ", extra_args)
         self.extra_args = [f"-D{key}={value}" for key, value in extra_args.items()] if extra_args else []
 
 
@@ -164,9 +166,6 @@ def build_extension(self, ext: CMakeExtension) -> None:
 setup(
     name="nnpops",
     version=version,
-    ext_modules=[CMakeExtension("cmake_example", ".", extra_args)],
-    cmdclass={"build_ext": CMakeBuild},
-    zip_safe=False,
-    extras_require={"test": ["pytest>=6.0"]},
-    python_requires=">=3.7",
+    ext_modules=[CMakeExtension(name="cmake_example", sourcedir=".", extra_args=extra_args)],
+    cmdclass={"build_ext": CMakeBuild}
 )

From bdd06ee6e77dc134e754bb26b62764667241fc81 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Tue, 27 Jun 2023 16:25:33 +0200
Subject: [PATCH 13/31] Add quotes

---
 setup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.py b/setup.py
index 08bd194..43fc026 100644
--- a/setup.py
+++ b/setup.py
@@ -154,7 +154,7 @@ def build_extension(self, ext: CMakeExtension) -> None:
         ARCHES += DEPRECATED_IN_11
     else:
         raise RuntimeError("Unsupported CUDA version")
-    CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
+    CMAKE_CUDA_ARCHS = '\"' + ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"]) + '\"'
     extra_args["CMAKE_CUDA_ARCHITECTURES"] = CMAKE_CUDA_ARCHS
 else:
     extra_args["ENABLE_CUDA"] = "OFF"

From 4a4b475d9c52a5fa1d6d2b1d2d81b713afbfb46c Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Wed, 28 Jun 2023 09:02:34 +0200
Subject: [PATCH 14/31] Remove quotes

---
 setup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.py b/setup.py
index 43fc026..08bd194 100644
--- a/setup.py
+++ b/setup.py
@@ -154,7 +154,7 @@ def build_extension(self, ext: CMakeExtension) -> None:
         ARCHES += DEPRECATED_IN_11
     else:
         raise RuntimeError("Unsupported CUDA version")
-    CMAKE_CUDA_ARCHS = '\"' + ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"]) + '\"'
+    CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
     extra_args["CMAKE_CUDA_ARCHITECTURES"] = CMAKE_CUDA_ARCHS
 else:
     extra_args["ENABLE_CUDA"] = "OFF"

From e138ffff18ca06c7119f8e8deb2d2a2df7e876e7 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Wed, 28 Jun 2023 15:36:34 +0200
Subject: [PATCH 15/31] Try setting archs to OFF

---
 setup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.py b/setup.py
index 08bd194..42f5cc0 100644
--- a/setup.py
+++ b/setup.py
@@ -155,7 +155,7 @@ def build_extension(self, ext: CMakeExtension) -> None:
     else:
         raise RuntimeError("Unsupported CUDA version")
     CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
-    extra_args["CMAKE_CUDA_ARCHITECTURES"] = CMAKE_CUDA_ARCHS
+    extra_args["CMAKE_CUDA_ARCHITECTURES"] = "OFF" #CMAKE_CUDA_ARCHS
 else:
     extra_args["ENABLE_CUDA"] = "OFF"
 

From e8c1038eaccbd7046297306419c69b68f9965a3d Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Wed, 28 Jun 2023 15:54:05 +0200
Subject: [PATCH 16/31] Change dict by Dict

---
 setup.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/setup.py b/setup.py
index 42f5cc0..ca50b33 100644
--- a/setup.py
+++ b/setup.py
@@ -8,7 +8,7 @@
 from setuptools.command.build_ext import build_ext
 import torch
 
-from typing import Optional
+from typing import Optional, Dict
 # Convert distutils Windows platform specifiers to CMake -A arguments
 PLAT_TO_CMAKE = {
     "win32": "Win32",
@@ -21,7 +21,7 @@
 # The name must be the _single_ output extension from the CMake build.
 # If you need multiple extensions, see scikit-build.
 class CMakeExtension(Extension):
-    def __init__(self, name: str, sourcedir: str = "", extra_args: Optional[dict[str, str]] = None) -> None:
+    def __init__(self, name: str, sourcedir: str = "", extra_args: Optional[Dict[str, str]] = None) -> None:
         super().__init__(name, sources=[])
         self.sourcedir = os.fspath(Path(sourcedir).resolve())
         #Store a list of extra arguments to pass to CMake, prepend -D to each

From 176bd7c0b3bf421c62282af96773eaf3eabddc3b Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Wed, 28 Jun 2023 16:17:36 +0200
Subject: [PATCH 17/31] Add pip to environment.yml

---
 environment.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/environment.yml b/environment.yml
index 9db9ae2..26b5612 100644
--- a/environment.yml
+++ b/environment.yml
@@ -12,3 +12,4 @@ dependencies:
   - python 3.10.*
   - pytorch-gpu 2.0.*
   - sysroot_linux-64 2.17
+  - pip

From cc307f2c722eccd660b389af66c5ee44b8700270 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Wed, 28 Jun 2023 16:21:26 +0200
Subject: [PATCH 18/31] Remove torch from pyproject, must be installed by conda

---
 pyproject.toml | 1 -
 1 file changed, 1 deletion(-)

diff --git a/pyproject.toml b/pyproject.toml
index e663411..2965c75 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -4,7 +4,6 @@ requires = [
     "wheel",
     "ninja",
     "cmake>=3.23",
-    "torch>=1.12",
     "GitPython"
 ]
 build-backend = "setuptools.build_meta"

From f0f3bf03eec9cbdf9ad46a7af6d828fca41234b7 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Thu, 29 Jun 2023 10:52:18 +0200
Subject: [PATCH 19/31] Change torch version in pip build depending on the ci's
 version matrix

---
 .github/workflows/ci.yml | 2 ++
 pyproject.toml           | 1 +
 2 files changed, 3 insertions(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index d19a78b..cfe9748 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -118,6 +118,7 @@ jobs:
       if: ${{ !matrix.enable_cuda }}
       run: |
         conda activate nnpops
+        sed -i -e '/"torch/c "torch==${{ matrix.pytorch }}",' pyproject.toml
         pip -vvv wheel --wheel-dir=$(pwd) . --extra-index-url https://download.pytorch.org/whl/cpu
         rm -rf build
         
@@ -125,6 +126,7 @@ jobs:
       if: ${{ matrix.enable_cuda }}
       run: |
         conda activate nnpops
+        sed -i -e '/"torch/c "torch==${{ matrix.pytorch }}",' pyproject.toml
         pip -vvv wheel --wheel-dir=$(pwd) .
         rm -rf build
 
diff --git a/pyproject.toml b/pyproject.toml
index 2965c75..8293b5a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -4,6 +4,7 @@ requires = [
     "wheel",
     "ninja",
     "cmake>=3.23",
+    "torch>=2.0",
     "GitPython"
 ]
 build-backend = "setuptools.build_meta"

From af0b8a1822817b7aee9e11f97d2f673ef63b4551 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 30 Jun 2023 15:11:58 +0200
Subject: [PATCH 20/31] Copy python scripts and put library in the correct
 place

---
 pyproject.toml | 13 ++++++++++++-
 setup.py       | 17 ++++++++++-------
 2 files changed, 22 insertions(+), 8 deletions(-)

diff --git a/pyproject.toml b/pyproject.toml
index 8293b5a..4c02e13 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -8,4 +8,15 @@ requires = [
     "GitPython"
 ]
 build-backend = "setuptools.build_meta"
-python_requires = ">=3.7"
\ No newline at end of file
+python_requires = ">=3.7"
+
+[project]
+name = "nnpops"
+version = "0.5"
+dependencies = [
+    "numpy",
+    "torch>=2.0",
+    "torchani>=2.2"
+]
+[project.optional-dependencies]
+test = ["pytest>=5.0"]
\ No newline at end of file
diff --git a/setup.py b/setup.py
index ca50b33..1798354 100644
--- a/setup.py
+++ b/setup.py
@@ -3,7 +3,7 @@
 import subprocess
 import sys
 from pathlib import Path
-import git
+#import git
 from setuptools import Extension, setup
 from setuptools.command.build_ext import build_ext
 import torch
@@ -51,7 +51,7 @@ def build_extension(self, ext: CMakeExtension) -> None:
         # EXAMPLE_VERSION_INFO shows you how to pass a value into the C++ code
         # from Python.
         cmake_args = [
-            f"-DCMAKE_LIBRARY_OUTPUT_DIRECTORY={extdir}{os.sep}",
+            f"-DCMAKE_LIBRARY_OUTPUT_DIRECTORY={extdir}{os.sep}{ext.name}",
             f"-DPYTHON_EXECUTABLE={sys.executable}",
             f"-DCMAKE_BUILD_TYPE={cfg}",  # not used on MSVC, but no harm
         ]
@@ -162,10 +162,13 @@ def build_extension(self, ext: CMakeExtension) -> None:
 extra_args["CMAKE_PREFIX_PATH"] = torch.utils.cmake_prefix_path
 #tag = git.Repo(search_parent_directories=True).git.describe("--tags", always=True)
 #version = tag.lstrip('v').split('-')[0]
-version = "0.5"
 setup(
-    name="nnpops",
-    version=version,
-    ext_modules=[CMakeExtension(name="cmake_example", sourcedir=".", extra_args=extra_args)],
-    cmdclass={"build_ext": CMakeBuild}
+    ext_modules=[CMakeExtension(name="NNPOps", sourcedir=".", extra_args=extra_args)],
+    cmdclass={"build_ext": CMakeBuild},
+    packages=["NNPOps", "NNPOps.neighbors", "NNPOps.pme"],
+    package_dir={
+        'NNPOps': 'src/pytorch',
+        'NNPOps.neighbors': 'src/pytorch/neighbors',
+        'NNPOps.pme': 'src/pytorch/pme'},
+    package_data={'NNPOps': ['lib/*.so', 'lib/*.dll', 'lib/*.dylib']},
 )

From 1c06019cc8f5366cc93c53652a2700d1412b2af0 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Wed, 5 Jul 2023 11:23:44 +0200
Subject: [PATCH 21/31] First try at cibuildwheel

---
 .github/workflows/wheels.yml | 42 ++++++++++++++++++++++++++++++++++++
 pyproject.toml               | 10 +++++----
 setup.py                     |  3 +++
 3 files changed, 51 insertions(+), 4 deletions(-)
 create mode 100644 .github/workflows/wheels.yml

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
new file mode 100644
index 0000000..461c2b5
--- /dev/null
+++ b/.github/workflows/wheels.yml
@@ -0,0 +1,42 @@
+name: Build
+
+on: [push, pull_request]
+
+jobs:
+  build_wheels:
+    name: Build wheels on cp${{ matrix.python }}-${{ matrix.platform_id }}-${{ matrix.manylinux_image }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [ubuntu-22.04] #, windows-2019, macos-11]
+        python: [37 38 39 310 311]
+        torch: [1.11, 1.12, 2.0.0]
+        cuda: [10, 11, 12]
+    steps:
+      - uses: actions/checkout@v3
+      - name: Setup Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python }}
+      - name: Build wheels
+        uses: pypa/cibuildwheel@v2.13.1
+        env:
+          CIBW_BUILD: cp${{ matrix.python }}-${{ matrix.platform_id }}
+          CIBW_ENVIRONMENT: TORCH_VERSION=${{ matrix.torch }} CUDA_VERSION=${{ matrix.cuda }}
+          
+        with:
+          package-dir: .
+          output-dir: wheelhouse
+        
+          
+        # env:
+        #   CIBW_SOME_OPTION: value
+        #    ...
+        # with:
+        #   package-dir: .
+        #   output-dir: wheelhouse
+        #   config-file: "{package}/pyproject.toml"
+
+      # - uses: actions/upload-artifact@v3
+      #   with:
+      #     path: ./wheelhouse/*.whl
diff --git a/pyproject.toml b/pyproject.toml
index 4c02e13..18cdc9a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -4,8 +4,8 @@ requires = [
     "wheel",
     "ninja",
     "cmake>=3.23",
-    "torch>=2.0",
-    "GitPython"
+    "GitPython",
+    "nvidia-pyindex"
 ]
 build-backend = "setuptools.build_meta"
 python_requires = ">=3.7"
@@ -15,8 +15,10 @@ name = "nnpops"
 version = "0.5"
 dependencies = [
     "numpy",
-    "torch>=2.0",
-    "torchani>=2.2"
+    "torch>=1.11",
+    "torchani>=2.2",
+    "mdtraj"
 ]
+
 [project.optional-dependencies]
 test = ["pytest>=5.0"]
\ No newline at end of file
diff --git a/setup.py b/setup.py
index 1798354..d7685f3 100644
--- a/setup.py
+++ b/setup.py
@@ -160,6 +160,8 @@ def build_extension(self, ext: CMakeExtension) -> None:
     extra_args["ENABLE_CUDA"] = "OFF"
 
 extra_args["CMAKE_PREFIX_PATH"] = torch.utils.cmake_prefix_path
+torch_version = os.environ.get("TORCH_VERSION", torch.__version__)
+cuda_version = os.environ.get("CUDA_VERSION", torch.version.cuda)
 #tag = git.Repo(search_parent_directories=True).git.describe("--tags", always=True)
 #version = tag.lstrip('v').split('-')[0]
 setup(
@@ -171,4 +173,5 @@ def build_extension(self, ext: CMakeExtension) -> None:
         'NNPOps.neighbors': 'src/pytorch/neighbors',
         'NNPOps.pme': 'src/pytorch/pme'},
     package_data={'NNPOps': ['lib/*.so', 'lib/*.dll', 'lib/*.dylib']},
+    install_requires=[f"torch=={torch_version}", f"nvidia-cuda-nvcc-cu{cuda_version}"],
 )

From 0fbafc77a19b7d1a030a7124e15045757aa0aec2 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 11:12:28 +0200
Subject: [PATCH 22/31] Fix typo

---
 .github/workflows/wheels.yml | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index 461c2b5..5296fa2 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -5,13 +5,14 @@ on: [push, pull_request]
 jobs:
   build_wheels:
     name: Build wheels on cp${{ matrix.python }}-${{ matrix.platform_id }}-${{ matrix.manylinux_image }}
+
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
         os: [ubuntu-22.04] #, windows-2019, macos-11]
-        python: [37 38 39 310 311]
-        torch: [1.11, 1.12, 2.0.0]
-        cuda: [10, 11, 12]
+        python: ['3.7', '3.8', '3.9', '3.10', '3.11']
+        torch: ['1.11', '1.12', '2.0.0']
+        cuda: ['10', '11', '12']
     steps:
       - uses: actions/checkout@v3
       - name: Setup Python

From d6c4f57cd5cb9ce9a6fe69440dbeb392e12118ac Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 11:14:44 +0200
Subject: [PATCH 23/31] Fix typo

---
 .github/workflows/wheels.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index 5296fa2..9c6e899 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -10,7 +10,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-22.04] #, windows-2019, macos-11]
-        python: ['3.7', '3.8', '3.9', '3.10', '3.11']
+        python: ['37', '38', '39', '310', '311']
         torch: ['1.11', '1.12', '2.0.0']
         cuda: ['10', '11', '12']
     steps:

From 51903c05e89115185d3c17764a2e38e816be0380 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 11:20:54 +0200
Subject: [PATCH 24/31] Update

---
 .github/workflows/wheels.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index 9c6e899..d84ab26 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -9,7 +9,7 @@ jobs:
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [ubuntu-22.04] #, windows-2019, macos-11]
+        os: [ubuntu-latest] #, windows-2019, macos-11]
         python: ['37', '38', '39', '310', '311']
         torch: ['1.11', '1.12', '2.0.0']
         cuda: ['10', '11', '12']

From 8b4da8a6a54baea0bdcaa8e518c7bf4abd4a692b Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 11:22:53 +0200
Subject: [PATCH 25/31] Update

---
 .github/workflows/wheels.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index d84ab26..1d2096b 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -18,7 +18,7 @@ jobs:
       - name: Setup Python
         uses: actions/setup-python@v4
         with:
-          python-version: ${{ matrix.python }}
+          python-version: '3.9'
       - name: Build wheels
         uses: pypa/cibuildwheel@v2.13.1
         env:

From 0ba92e2a306773573a8186926d5a2b9a6998d1bf Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 11:30:54 +0200
Subject: [PATCH 26/31] Update

---
 .github/workflows/wheels.yml | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index 1d2096b..f6d96c8 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -4,13 +4,13 @@ on: [push, pull_request]
 
 jobs:
   build_wheels:
-    name: Build wheels on cp${{ matrix.python }}-${{ matrix.platform_id }}-${{ matrix.manylinux_image }}
+    name: Build wheels on cp${{ matrix.python }}-linux
 
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
         os: [ubuntu-latest] #, windows-2019, macos-11]
-        python: ['37', '38', '39', '310', '311']
+        python: ['3.7', '3.8', '3.9', '3.10', '3.11']
         torch: ['1.11', '1.12', '2.0.0']
         cuda: ['10', '11', '12']
     steps:
@@ -18,17 +18,17 @@ jobs:
       - name: Setup Python
         uses: actions/setup-python@v4
         with:
-          python-version: '3.9'
+          python-version: ${{ matrix.python }}
       - name: Build wheels
         uses: pypa/cibuildwheel@v2.13.1
         env:
-          CIBW_BUILD: cp${{ matrix.python }}-${{ matrix.platform_id }}
+          CIBW_BUILD: cp${{ matrix.python }}-linux
           CIBW_ENVIRONMENT: TORCH_VERSION=${{ matrix.torch }} CUDA_VERSION=${{ matrix.cuda }}
           
         with:
           package-dir: .
           output-dir: wheelhouse
-        
+
           
         # env:
         #   CIBW_SOME_OPTION: value

From d2c62573b8d50652e394fa882985ea12845da163 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 18:21:23 +0200
Subject: [PATCH 27/31] Another try

---
 .github/workflows/wheels.yml |  1 -
 CMakeLists.txt               |  2 +-
 pyproject.toml               |  5 +++-
 setup.py                     | 49 ++++++++++++++++++------------------
 4 files changed, 30 insertions(+), 27 deletions(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index f6d96c8..dc30162 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -24,7 +24,6 @@ jobs:
         env:
           CIBW_BUILD: cp${{ matrix.python }}-linux
           CIBW_ENVIRONMENT: TORCH_VERSION=${{ matrix.torch }} CUDA_VERSION=${{ matrix.cuda }}
-          
         with:
           package-dir: .
           output-dir: wheelhouse
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 5529ff6..b3df303 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -9,7 +9,7 @@ if(ENABLE_CUDA)
 endif(ENABLE_CUDA)
 
 # Find dependencies
-find_package(Python3 REQUIRED COMPONENTS Interpreter Development)
+find_package(Python3 REQUIRED COMPONENTS Interpreter Development.Module)
 find_package(Torch REQUIRED)
 enable_testing()
 
diff --git a/pyproject.toml b/pyproject.toml
index 18cdc9a..61920ed 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -5,7 +5,10 @@ requires = [
     "ninja",
     "cmake>=3.23",
     "GitPython",
-    "nvidia-pyindex"
+    "nvidia-pyindex",
+    "torch>=1.11",
+    "Cython"
+    
 ]
 build-backend = "setuptools.build_meta"
 python_requires = ">=3.7"
diff --git a/setup.py b/setup.py
index d7685f3..1a1cb81 100644
--- a/setup.py
+++ b/setup.py
@@ -134,30 +134,31 @@ def build_extension(self, ext: CMakeExtension) -> None:
     extra_args["CMAKE_C_COMPILER"] = os.environ.get("CC", "")
 if "CXX" in os.environ:
     extra_args["CMAKE_CXX_COMPILER"] = os.environ.get("CXX", "")
-if torch.backends.cuda.is_built():
-    extra_args["ENABLE_CUDA"] = "ON"
-    ARCHES = [52, 60, 61, 70]
-    DEPRECATED_IN_11 = [35, 50]
-    cuda_version_major= int(torch.version.cuda.split(".")[0])
-    cuda_version_minor= int(torch.version.cuda.split(".")[1])
-    if cuda_version_major >= 11 or (cuda_version_major == 11 and cuda_version_minor >= 1):
-        LATEST_ARCH = 90
-        ARCHES += [75, 80, 86]
-    elif cuda_version_major == 11 and cuda_version_minor >= 1:
-        LATEST_ARCH = 86
-        ARCHES += [75, 80]
-    elif cuda_version_major == 11 and cuda_version_minor >= 0:
-        LATEST_ARCH = 80
-        ARCHES += [75]
-    elif cuda_version_major >= 10:
-        LATEST_ARCH = 75
-        ARCHES += DEPRECATED_IN_11
-    else:
-        raise RuntimeError("Unsupported CUDA version")
-    CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
-    extra_args["CMAKE_CUDA_ARCHITECTURES"] = "OFF" #CMAKE_CUDA_ARCHS
-else:
-    extra_args["ENABLE_CUDA"] = "OFF"
+# if torch.backends.cuda.is_built():
+#     extra_args["ENABLE_CUDA"] = "ON"
+#     ARCHES = [52, 60, 61, 70]
+#     DEPRECATED_IN_11 = [35, 50]
+#     cuda_version_major= int(torch.version.cuda.split(".")[0])
+#     cuda_version_minor= int(torch.version.cuda.split(".")[1])
+#     if cuda_version_major >= 11 or (cuda_version_major == 11 and cuda_version_minor >= 1):
+#         LATEST_ARCH = 90
+#         ARCHES += [75, 80, 86]
+#     elif cuda_version_major == 11 and cuda_version_minor >= 1:
+#         LATEST_ARCH = 86
+#         ARCHES += [75, 80]
+#     elif cuda_version_major == 11 and cuda_version_minor >= 0:
+#         LATEST_ARCH = 80
+#         ARCHES += [75]
+#     elif cuda_version_major >= 10:
+#         LATEST_ARCH = 75
+#         ARCHES += DEPRECATED_IN_11
+#     else:
+#         raise RuntimeError("Unsupported CUDA version")
+#     CMAKE_CUDA_ARCHS = ";".join([str(arch) for arch in ARCHES] + [f"{LATEST_ARCH}-real", f"{LATEST_ARCH}-virtual"])
+#     extra_args["CMAKE_CUDA_ARCHITECTURES"] = "OFF" #CMAKE_CUDA_ARCHS
+# else:
+extra_args["CMAKE_CUDA_ARCHITECTURES"] = "OFF"
+extra_args["ENABLE_CUDA"] = "OFF"
 
 extra_args["CMAKE_PREFIX_PATH"] = torch.utils.cmake_prefix_path
 torch_version = os.environ.get("TORCH_VERSION", torch.__version__)

From 82c63dee75c8daaa63294391734610139192f60d Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 18:24:18 +0200
Subject: [PATCH 28/31] Update wheels.yml

---
 .github/workflows/wheels.yml | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index dc30162..3ecbcdc 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -10,9 +10,9 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest] #, windows-2019, macos-11]
-        python: ['3.7', '3.8', '3.9', '3.10', '3.11']
-        torch: ['1.11', '1.12', '2.0.0']
-        cuda: ['10', '11', '12']
+        python: ['3.9']
+        torch: ['1.12']
+        cuda: ['11']
     steps:
       - uses: actions/checkout@v3
       - name: Setup Python
@@ -22,7 +22,7 @@ jobs:
       - name: Build wheels
         uses: pypa/cibuildwheel@v2.13.1
         env:
-          CIBW_BUILD: cp${{ matrix.python }}-linux
+          CIBW_BUILD: cp${{ matrix.python }}-*
           CIBW_ENVIRONMENT: TORCH_VERSION=${{ matrix.torch }} CUDA_VERSION=${{ matrix.cuda }}
         with:
           package-dir: .

From a6a39eb0ca44e53986291b17555e33f1429c1e18 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 18:26:45 +0200
Subject: [PATCH 29/31] Update wheels.yml

---
 .github/workflows/wheels.yml | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index 3ecbcdc..3bab5e3 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -10,7 +10,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest] #, windows-2019, macos-11]
-        python: ['3.9']
+        python: ['39']
         torch: ['1.12']
         cuda: ['11']
     steps:
@@ -23,6 +23,8 @@ jobs:
         uses: pypa/cibuildwheel@v2.13.1
         env:
           CIBW_BUILD: cp${{ matrix.python }}-*
+          CIBW_SKIP: "cp36-* *-win32 *i686"
+          
           CIBW_ENVIRONMENT: TORCH_VERSION=${{ matrix.torch }} CUDA_VERSION=${{ matrix.cuda }}
         with:
           package-dir: .

From 134c3412e25e2d49c774514604922ff129461744 Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 18:29:15 +0200
Subject: [PATCH 30/31] Update wheels.yml

---
 .github/workflows/wheels.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index 3bab5e3..a66b94c 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -10,7 +10,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest] #, windows-2019, macos-11]
-        python: ['39']
+        python: ['310']
         torch: ['1.12']
         cuda: ['11']
     steps:

From 1afe7fcf1524c0b1354a2384980ce0997bd53e9f Mon Sep 17 00:00:00 2001
From: RaulPPealez <raulppelaez@gmail.com>
Date: Fri, 7 Jul 2023 18:53:40 +0200
Subject: [PATCH 31/31] Update wheels

---
 .github/workflows/wheels.yml | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index a66b94c..14d0ef5 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -10,7 +10,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest] #, windows-2019, macos-11]
-        python: ['310']
+        python: ['3.10']
         torch: ['1.12']
         cuda: ['11']
     steps:
@@ -22,7 +22,6 @@ jobs:
       - name: Build wheels
         uses: pypa/cibuildwheel@v2.13.1
         env:
-          CIBW_BUILD: cp${{ matrix.python }}-*
           CIBW_SKIP: "cp36-* *-win32 *i686"
           
           CIBW_ENVIRONMENT: TORCH_VERSION=${{ matrix.torch }} CUDA_VERSION=${{ matrix.cuda }}