musica 0.11.1__tar.gz → 0.11.1.1__tar.gz

{musica-0.11.1 → musica-0.11.1.1}/.github/workflows/gh_pages.yml

@@ -3,8 +3,11 @@ name: GitHub Pages
 
 on:
   push:
+    branches:
+      - main
+      - release
   pull_request:
-    types: [opened, synchronize, reopened]
+  workflow_dispatch:
 
 env:
   DEFAULT_BRANCH: "release"

{musica-0.11.1 → musica-0.11.1.1}/.github/workflows/python-wheels.yml

@@ -48,9 +48,8 @@ jobs:
       with:
         python-version: ${{ matrix.python-version }}
 
-    - name: CI Build Wheels with GPU support
+    - name: CI Build Wheels
       uses: pypa/cibuildwheel@v2.17
-      if: github.event_name != 'release'
       env:
         CIBW_ENVIRONMENT_PASS_LINUX: CIBW_ARCHS
         CIBW_ENVIRONMENT_LINUX: >
@@ -58,22 +57,6 @@ jobs:
           PATH=/usr/local/cuda/bin:$PATH
           LD_LIBRARY_PATH=/usr/local/cuda/lib64:$LD_LIBRARY_PATH
           BUILD_GPU=1
-        CIBW_ENVIRONMENT_PASS_WINDOWS: CIBW_ARCHS
-        CIBW_ARCHS_MACOS: arm64 x86_64
-        CIBW_SKIP: cp27-* cp34-* cp35-* cp36-* *musllinux*
-        CIBW_BUILD: cp37-* cp38-* cp39-* cp310-* cp311-* cp312-*
-        CIBW_BEFORE_ALL_LINUX: musica/tools/prepare_build_environment_linux.sh
-        # CIBW_BEFORE_ALL_WINDOWS: bash musica/tools/prepare_build_environment_windows.sh
-
-    - name: CI Build Wheels without GPU support for release
-      uses: pypa/cibuildwheel@v2.17
-      if: github.event_name == 'release' && github.event.action == 'published'
-      env:
-        CIBW_ENVIRONMENT_PASS_LINUX: CIBW_ARCHS
-        CIBW_ENVIRONMENT_PASS_WINDOWS: CIBW_ARCHS
-        CIBW_ARCHS_MACOS: arm64 x86_64
-        CIBW_SKIP: cp27-* cp34-* cp35-* cp36-* *musllinux*
-        CIBW_BUILD: cp37-* cp38-* cp39-* cp310-* cp311-* cp312-*
 
     - name: Upload wheels
       uses: actions/upload-artifact@v4

{musica-0.11.1 → musica-0.11.1.1}/.gitignore

@@ -12,4 +12,5 @@ musica.egg-info
 **/*.mod
 
 **/*__pycache__*
-**/*.pyc
+**/*.pyc
+wheelhouse

{musica-0.11.1 → musica-0.11.1.1}/CMakeLists.txt

@@ -1,7 +1,7 @@
 cmake_minimum_required(VERSION 3.21)
 
 # must be on the same line so that pyproject.toml can correctly identify the version
-project(musica-distribution VERSION 0.11.1)
+project(musica-distribution VERSION 0.11.1.1)
 
 set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH};${PROJECT_SOURCE_DIR}/cmake)
 set(CMAKE_USER_MAKE_RULES_OVERRIDE ${PROJECT_SOURCE_DIR}/cmake/SetDefaults.cmake)

{musica-0.11.1 → musica-0.11.1.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: musica
-Version: 0.11.1
+Version: 0.11.1.1
 Summary: MUSICA is a Python library for performing computational simulations in atmospheric chemistry.
 Author-Email: Matthew Dawsom <mattdawson@ucar.edu>, Jiwon Gim <jiwongim@ucar.edu>, David Fillmore <fillmore@ucar.edu>, Kyle Shores <kshores@ucar.edu>, Montek Thind <mthind@ucar.edu>
 Maintainer-Email: ACOM MUSICA Developers <musica-support@ucar.edu>
@@ -210,6 +210,9 @@ Project-URL: homepage, https://wiki.ucar.edu/display/MUSICA/MUSICA+Home
 Provides-Extra: test
 Requires-Dist: numpy; extra == "test"
 Requires-Dist: pytest; extra == "test"
+Provides-Extra: gpu
+Requires-Dist: nvidia-cublas-cu12; extra == "gpu"
+Requires-Dist: nvidia-cuda-runtime-cu12; extra == "gpu"
 Description-Content-Type: text/markdown
 
 # MUSICA

{musica-0.11.1 → musica-0.11.1.1}/musica/CMakeLists.txt

@@ -19,9 +19,15 @@ if (APPLE)
     BUILD_WITH_INSTALL_RPATH TRUE
   )
 elseif(UNIX)
-  # set the rpath for the shared library
+  set(CUDA_RPATH
+    "$ORIGIN/../../nvidia/cublas/lib"
+    "$ORIGIN/../../nvidia/cuda_runtime/lib"
+  )
+
+  message(STATUS "Adding RPATH for python site packages libs at ${CUDA_RPATH}")
+
   set_target_properties(_musica PROPERTIES
-    INSTALL_RPATH "$ORIGIN"
+    INSTALL_RPATH "$ORIGIN;${CUDA_RPATH}"
     BUILD_WITH_INSTALL_RPATH TRUE
   )
 endif()

{musica-0.11.1 → musica-0.11.1.1}/musica/musica.cpp

@@ -77,14 +77,17 @@ void bind_musica(py::module_ &core)
   core.def("_vector_size",
       [](const musica::MICMSolver solver_type)
       {
-        if (solver_type == musica::MICMSolver::RosenbrockStandardOrder ||
-            solver_type == musica::MICMSolver::BackwardEulerStandardOrder) {
-          return static_cast<std::size_t>(0);
-        } else if (solver_type == musica::MICMSolver::Rosenbrock ||
-                 solver_type == musica::MICMSolver::BackwardEuler) {
-          return musica::MUSICA_VECTOR_SIZE;
-        } else {
-          throw py::value_error("Invalid MICM solver type.");
+        switch (solver_type)
+        {
+          case musica::MICMSolver::Rosenbrock:
+          case musica::MICMSolver::BackwardEuler:
+          case musica::MICMSolver::CudaRosenbrock:
+            return musica::MUSICA_VECTOR_SIZE;
+          case musica::MICMSolver::RosenbrockStandardOrder:
+          case musica::MICMSolver::BackwardEulerStandardOrder:
+            return static_cast<std::size_t>(0);
+          default:
+            throw py::value_error("Invalid MICM solver type.");
         }
       },
       "Returns the vector dimension for vector-ordered solvers, 0 otherwise.");

{musica-0.11.1 → musica-0.11.1.1}/musica/test/test_analytical.py

@@ -261,7 +261,7 @@ def test_cuda_rosenbrock():
     if _is_cuda_available():
         solver = musica.MICM(
             config_path="configs/analytical",
-            solver_type=musica.micmsolver.cuda_rosenbrock)
+            solver_type=musica.SolverType.cuda_rosenbrock)
         state = solver.create_state()
         TestSingleGridCell(solver, state, 200.0, 5)
     else:

musica-0.11.1.1/musica/tools/prepare_build_environment_linux.sh

@@ -0,0 +1,41 @@
+#! /bin/bash
+
+set -e
+set -x
+
+# Update the mirror list to use vault.centos.org
+sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/*.repo
+sed -i s/^#.*baseurl=http/baseurl=http/g /etc/yum.repos.d/*.repo
+sed -i s/^mirrorlist=http/#mirrorlist=http/g /etc/yum.repos.d/*.repo
+
+sed -i 's/mirrorlist/#mirrorlist/g' /etc/yum.repos.d/CentOS-*
+sed -i 's|#baseurl=http://mirror.centos.org|baseurl=http://vault.centos.org|g' /etc/yum.repos.d/CentOS-*
+
+yum install -y zip tree
+
+# Use CIBW_ARCHS or CIBW_ARCH if set, else fallback to uname -m
+if [ -n "$CIBW_ARCHS" ]; then
+  target_arch="$CIBW_ARCHS"
+elif [ -n "$CIBW_ARCH" ]; then
+  target_arch="$CIBW_ARCH"
+else
+  target_arch="$(uname -m)"
+fi
+
+echo "Detected target_arch: $target_arch"
+
+if [ "$target_arch" = "x86_64" ]; then
+  # Install CUDA 12.2 for x86_64:
+  yum-config-manager --add-repo https://developer.download.nvidia.com/compute/cuda/repos/rhel8/x86_64/cuda-rhel8.repo
+  # error mirrorlist.centos.org doesn't exists anymore.
+  sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/*.repo
+  sed -i s/^#.*baseurl=http/baseurl=http/g /etc/yum.repos.d/*.repo
+  sed -i s/^mirrorlist=http/#mirrorlist=http/g /etc/yum.repos.d/*.repo
+  yum install --setopt=obsoletes=0 -y \
+      cuda-nvcc-12-2-12.2.140-1 \
+      cuda-cudart-devel-12-2-12.2.140-1 \
+      libcurand-devel-12-2-10.3.3.141-1 \
+      libcublas-devel-12-2-12.2.5.6-1 \
+      libnccl-devel-2.19.3-1+cuda12.2
+  ln -s cuda-12.2 /usr/local/cuda
+fi

musica-0.11.1.1/musica/tools/repair_wheel_gpu.sh

@@ -0,0 +1,25 @@
+#!/usr/bin/env bash
+set -e
+
+auditwheel repair --exclude libcublas --exclude libcublasLt --exclude libcudart -w "$2" "$1"
+
+for whl in "$2"/*.whl; do
+  tmpdir=$(mktemp -d)
+  unzip -q "$whl" -d "$tmpdir"
+  tree "$tmpdir"
+  echo "Before patchelf:"
+  readelf -d "$tmpdir"/_musica*.so
+  patchelf --remove-rpath "$tmpdir"/_musica*.so
+  patchelf --set-rpath "\$ORIGIN:\$ORIGIN/../../nvidia/cublas/lib:\$ORIGIN/../../nvidia/cuda_runtime/lib" --force-rpath "$tmpdir"/_musica*.so
+  # Remove bundled CUDA libraries
+  rm -f "$tmpdir"/musica.libs/libcudart-*.so*
+  rm -f "$tmpdir"/musica.libs/libcublas-*.so*
+  rm -f "$tmpdir"/musica.libs/libcublasLt-*.so*
+  echo "After patchelf:"
+  readelf -d "$tmpdir"/_musica*.so
+  # Repack the wheel with correct structure
+  (cd "$tmpdir" && zip -qr "${whl%.whl}.patched.whl" .)
+  rm -rf "$tmpdir"
+  # Replace the original wheel with the patched one
+  mv "${whl%.whl}.patched.whl" "$whl"
+done

{musica-0.11.1 → musica-0.11.1.1}/pyproject.toml

@@ -26,38 +26,31 @@ test = [
   "pytest",
 ]
 
+gpu = [
+  "nvidia-cublas-cu12",
+  "nvidia-cuda-runtime-cu12",
+]
+
 [tool.scikit-build]
 cmake.build-type = "Release"
-cmake.args = [
-  "-DMUSICA_ENABLE_PYTHON_LIBRARY=ON",
-  "-DMUSICA_ENABLE_TUVX=OFF",
-  "-DMUSICA_BUILD_FORTRAN_INTERFACE=OFF",
-  "-DMUSICA_ENABLE_TESTS=OFF",
-  "-DCMAKE_POLICY_VERSION_MINIMUM=3.5",
-]
+cmake.define.MUSICA_ENABLE_PYTHON_LIBRARY = "ON"
+cmake.define.MUSICA_ENABLE_TUVX = "OFF"
+cmake.define.MUSICA_BUILD_FORTRAN_INTERFACE = "OFF"
+cmake.define.MUSICA_ENABLE_TESTS = "OFF"
+cmake.define.CMAKE_POLICY_VERSION_MINIMUM = "3.5"
 
 [[tool.scikit-build.overrides]]
 if.any.env.BUILD_GPU = true
-cmake.args = [
-  "-DMUSICA_ENABLE_PYTHON_LIBRARY=ON",
-  "-DMUSICA_ENABLE_TUVX=OFF",
-  "-DMUSICA_BUILD_FORTRAN_INTERFACE=OFF",
-  "-DMUSICA_ENABLE_TESTS=OFF",
-  "-DCMAKE_POLICY_VERSION_MINIMUM=3.5",
-  "-DMUSICA_GPU_TYPE=all_major",
-  "-DMUSICA_SET_MICM_DEFAULT_VECTOR_SIZE=1"
-]
+inherit.cmake.define = "append"
+cmake.define.MUSICA_SET_MICM_DEFAULT_VECTOR_SIZE = "1"
+cmake.define.MUSICA_GPU_TYPE = "all_major"
 
+# 32 bit linux cannot be built with CUDA support
 [[tool.scikit-build.overrides]]
 if.platform-system ="linux"
 if.platform-machine = "i686"
-cmake.args = [
-  "-DMUSICA_ENABLE_PYTHON_LIBRARY=ON",
-  "-DMUSICA_ENABLE_TUVX=OFF",
-  "-DMUSICA_BUILD_FORTRAN_INTERFACE=OFF",
-  "-DMUSICA_ENABLE_TESTS=OFF",
-  "-DCMAKE_POLICY_VERSION_MINIMUM=3.5",
-]
+inherit.cmake.define = "append"
+cmake.define.MUSICA_GPU_TYPE = "None"
 
 
 [project.urls]
@@ -75,9 +68,24 @@ template = '''
 version = "${version}"
 '''
 
+# you can test cibuildwheel on any computer with docker directly. First, make a 
+# new python environment and install cibbuildwheel into it
+# then, run something like this:
+# CIBW_ARCHS=x86_64 CIBW_PLATFORM=linux CIBW_ENVIRONMENT="BUILD_GPU=1 CUDA_PATH=/usr/local/cuda PATH=/usr/local/cuda/bin:\$PATH LD_LIBRARY_PATH=/usr/local/cuda/lib64:\$LD_LIBRARY_PATH" cibuildwheel --output-dir wheelhouse > log.txt 2>&1
 [tool.cibuildwheel]
 # Increase pip debugging output
 build-verbosity = 3
 
-[tool.cibuildwheel.macos.environment]
-MACOSX_DEPLOYMENT_TARGET = "10.15"
+# Add your desired build configuration
+build = "cp37-* cp38-* cp39-* cp310-* cp311-* cp312-*"
+skip = "cp27-* cp34-* cp35-* cp36-* *musllinux*"
+archs = "auto"
+
+# Set up pre-build hook
+
+[tool.cibuildwheel.macos]
+environment.MACOSX_DEPLOYMENT_TARGET = "10.15"
+
+[tool.cibuildwheel.linux]
+before-all = "musica/tools/prepare_build_environment_linux.sh"
+repair-wheel-command = "bash musica/tools/repair_wheel_gpu.sh {wheel} {dest_dir}"

musica-0.11.1/musica/tools/prepare_build_environment_linux.sh

@@ -1,21 +0,0 @@
-#! /bin/bash
-
-set -e
-set -x
-
-# Cuda can only be installed on x86_64 architecture.
-if [ "$(uname -m)" == "x86_64" ]; then
-  # Install CUDA 12.2:
-  yum-config-manager --add-repo https://developer.download.nvidia.com/compute/cuda/repos/rhel8/x86_64/cuda-rhel8.repo
-  # error mirrorlist.centos.org doesn't exists anymore.
-  sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/*.repo
-  sed -i s/^#.*baseurl=http/baseurl=http/g /etc/yum.repos.d/*.repo
-  sed -i s/^mirrorlist=http/#mirrorlist=http/g /etc/yum.repos.d/*.repo
-  yum install --setopt=obsoletes=0 -y \
-      cuda-nvcc-12-2-12.2.140-1 \
-      cuda-cudart-devel-12-2-12.2.140-1 \
-      libcurand-devel-12-2-10.3.3.141-1 \
-      libcublas-devel-12-2-12.2.5.6-1 \
-      libnccl-devel-2.19.3-1+cuda12.2
-  ln -s cuda-12.2 /usr/local/cuda
-fi