musica 0.11.0__cp310-cp310-manylinux_2_17_i686.manylinux2014_i686.whl → 0.11.1.0__cp310-cp310-manylinux_2_17_i686.manylinux2014_i686.whl

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/_version.py

@@ -1 +1 @@
-version = "0.11.0"
+version = "0.11.1.0"

musica/musica.cpp

@@ -52,17 +52,17 @@ void bind_musica(py::module_ &core)
       .def_property(
           "user_defined_rate_parameters",
           [](musica::State &state) -> std::vector<double>& {
-            return state.GetOrderedRateConstants();
+            return state.GetOrderedRateParameters();
           },
           nullptr,
           "native 1D list of user-defined rate parameters, ordered by parameter and grid cell according to matrix type")
       .def("concentration_strides",
           [](musica::State &state) {
-            return state.GetConcentrationStrides();
+            return state.GetConcentrationsStrides();
           })
       .def("user_defined_rate_parameter_strides",
           [](musica::State &state) {
-            return state.GetUserDefinedRateParameterStrides();
+            return state.GetUserDefinedRateParametersStrides();
           });
 
   py::enum_<musica::MICMSolver>(core, "_SolverType")
@@ -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/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/tools/prepare_build_environment_linux.sh

@@ -3,9 +3,29 @@
 set -e
 set -x
 
-# Cuda can only be installed on x86_64 architecture.
-if [ "$(uname -m)" == "x86_64" ]; then
-  # Install CUDA 12.2:
+# Update the mirror list to use vault.centos.org
+sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/*.repo
+sed -i s/^#.*baseurl=http/baseurl=http/g /etc/yum.repos.d/*.repo
+sed -i s/^mirrorlist=http/#mirrorlist=http/g /etc/yum.repos.d/*.repo
+
+sed -i 's/mirrorlist/#mirrorlist/g' /etc/yum.repos.d/CentOS-*
+sed -i 's|#baseurl=http://mirror.centos.org|baseurl=http://vault.centos.org|g' /etc/yum.repos.d/CentOS-*
+
+yum install -y zip tree
+
+# Use CIBW_ARCHS or CIBW_ARCH if set, else fallback to uname -m
+if [ -n "$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

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/types.py

@@ -124,7 +124,7 @@ class State():
 
         Parameters
         ----------
-        concentrations : Dict[str, Union[Union[float, int ], List[Union[float, int]]]]
+        concentrations : Dict[str, Union[Union[float, int], List[Union[float, int]]]]
             Dictionary of species names and their concentrations.
         """
         for name, value in concentrations.items():

{musica-0.11.0.dist-info → musica-0.11.1.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: musica
-Version: 0.11.0
+Version: 0.11.1.0
 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-0.11.0.dist-info → musica-0.11.1.0.dist-info}/RECORD

@@ -1,29 +1,30 @@
-_musica.cpython-310-i386-linux-gnu.so,sha256=E_2i1BUTNtw2pVODnI6FUpikvuDI8v9DX5wUb6EYsIU,3389912
-lib/libmusica.a,sha256=8xeJCiEezrHpmK7f0P77SM4_apDCBRi4qxus6C9PUOQ,1865736
-lib/libyaml-cpp.a,sha256=XH0JdYRrCnrdygOrK3fmpttI3JXF2hdO8kz6fXg8Bt0,960542
-musica-0.11.0.dist-info/WHEEL,sha256=GmnKieOUdYS3z1v7zduwUqFXcqpuKiOxo6VBVWPcQwk,152
-musica-0.11.0.dist-info/METADATA,sha256=NGs_5sOK9qucIxXFSPVme7bJvv3cNTvubCI4j4vlCsk,20686
-musica-0.11.0.dist-info/RECORD,,
-musica-0.11.0.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
-musica/mechanism_configuration.py,sha256=pma248L_jjQecsxL9zIn-S4KxXNlSL1NL4LB4fN5jV0,58011
-musica/types.py,sha256=wwFsfX2FyXmBf-ToqenL1euwToWPjM31iTl3afIAa5s,14896
+_musica.cpython-310-i386-linux-gnu.so,sha256=K0zvGPnr6vZYvjAQL5rZRnoejbJbFCLTVzLV4whQn_c,3389912
+lib/libmusica.a,sha256=6ulNl29tOa9CWcG0768xbPtWrUKVMZq0IAy0bFdDZOA,1870922
+lib/libyaml-cpp.a,sha256=rduE8Wr5mQ2hgLOJlk1Bu6GzTg2ecY1WcYQi6PRDI7s,960542
+musica/CMakeLists.txt,sha256=FJkD0MaB1qUNDpyCsjELAW4wpuSslfzyo-YCJwLkIp4,1128
+musica/binding.cpp,sha256=zDD_TQ7icS_lNG7iUAp23VG7_odbptGJbtRdYjalsdc,656
+musica/musica.cpp,sha256=BBRtL9_Q62ia_vhmpTqpnHHGimPBpCR5YVth8x0i0h4,8399
 musica/__init__.py,sha256=CW7SVuK4kO8bYg8wB56YGun-NBRmBqWQO379qP21Yvo,82
-musica/CMakeLists.txt,sha256=vuK0ci_vLTkUGpDA4SrN1EKkUbOOnpggAws3WrWrazk,970
-musica/musica.cpp,sha256=AjoBDd0qExr63CtVQlaYeHXvG4BFpZPvhv1DOf69Weo,8366
+musica/types.py,sha256=WQYTDT3aZQVvCyXmaEGuBYqtdx3IZk1Ao5bcmPUGzXM,14895
+musica/_version.py,sha256=suv06oJaea_7HQaaHK99o4t0k3p-d4OKHaDzvMpoHOU,21
 musica/mechanism_configuration.cpp,sha256=E7GGeftgQGL303nsk2C7pwYpPiMAQcuxdbadohHb1QM,27100
-musica/_version.py,sha256=dRrvxj3J72feH1jJTMOOTBdWRMp_uivh7mhwD2v-fMg,19
-musica/binding.cpp,sha256=zDD_TQ7icS_lNG7iUAp23VG7_odbptGJbtRdYjalsdc,656
+musica/mechanism_configuration.py,sha256=pma248L_jjQecsxL9zIn-S4KxXNlSL1NL4LB4fN5jV0,58011
 musica/test/test_chapman.py,sha256=Wm0wLy6E1Zm8p6cLaICQO9tSy_szMkYn9E7MPCtobno,3070
-musica/test/tuvx.py,sha256=rWvBcG6cgLJylqkf8M0MFMKT2AkyoaZlGdaKjVSbCR8,116
 musica/test/test_parser.py,sha256=VhOPNrcDnFGgk2v_iMoLNq5JBP22VbkHTHLk3N09d3s,24292
-musica/test/test_analytical.py,sha256=qYhuFoJhQ6cr3fvcmEJkF0hD8M_4rLUDGEzc57H1SEA,13775
-musica/test/examples/v1/full_configuration.json,sha256=7AqPhTHodSjtV8LOPoUsA9MtCu_Xc28RVOlhNGPI9GQ,8807
+musica/test/tuvx.py,sha256=rWvBcG6cgLJylqkf8M0MFMKT2AkyoaZlGdaKjVSbCR8,116
+musica/test/test_analytical.py,sha256=5rIlpy5bzpTfZNv8wAND8O5KA8Wvh3Bm64pTRRlSHgc,13775
 musica/test/examples/v1/full_configuration.yaml,sha256=s9Go7AQv9OFQ7zVb1k4wmDj2vpHYzVCTRqi8JZTHlUM,5235
-musica/test/examples/v0/config.yaml,sha256=GgA18mP8ZCzOdY-AlAePK48M05PJFPeWCk-IfrPN_VE,44
-musica/test/examples/v0/config.json,sha256=7s6g5jxH2GiEiRcZmO13IJ5k4walg1C9t-dQr9o45U4,79
+musica/test/examples/v1/full_configuration.json,sha256=7AqPhTHodSjtV8LOPoUsA9MtCu_Xc28RVOlhNGPI9GQ,8807
+musica/test/examples/v0/species.json,sha256=xKTcwh9QV9sRjLPK9GvGEnatBrRPbP857NmPG0bCXqU,565
 musica/test/examples/v0/species.yaml,sha256=vUYTs7bp2AYVWHDgXBFxnCkmqdO6ysJ_ulOQTAoKa1M,283
+musica/test/examples/v0/config.yaml,sha256=GgA18mP8ZCzOdY-AlAePK48M05PJFPeWCk-IfrPN_VE,44
 musica/test/examples/v0/reactions.json,sha256=7WJhItBPtGu89vLcPMK6izW8BvwUAIjfzqwjtDmfPPg,4188
 musica/test/examples/v0/reactions.yaml,sha256=uEuQOz5i7vGyn0G7KsmdWv23V2Gn0QUmexrK030CFlo,2266
-musica/test/examples/v0/species.json,sha256=xKTcwh9QV9sRjLPK9GvGEnatBrRPbP857NmPG0bCXqU,565
+musica/test/examples/v0/config.json,sha256=7s6g5jxH2GiEiRcZmO13IJ5k4walg1C9t-dQr9o45U4,79
+musica/tools/repair_wheel_gpu.sh,sha256=PHWls1cS9QOElQDIgSMOh7TkHB8UNylZbls9zSjSus0,917
+musica/tools/prepare_build_environment_linux.sh,sha256=9rkT0bTVmu9QQqhS6eGRX1HXMQZLfkUGakkC3i5VKec,1466
 musica/tools/prepare_build_environment_windows.sh,sha256=zMY_RIerqfMC1VlfpZ2KjjDWfBUOvvx8oRNk_jJhmII,826
-musica/tools/prepare_build_environment_linux.sh,sha256=WrKAVAZrFwIq_MEXX2pqdBCMPTXvYoPrvMxGBhWlhi0,801
+musica-0.11.1.0.dist-info/WHEEL,sha256=C9MHKU4XQOsPtqB8Fc9BpKOwJ2BaQTX-QpGVMm9jNwY,152
+musica-0.11.1.0.dist-info/METADATA,sha256=TBJI5PEajWEcPSut2_1k4J6NL2tA9EH-iPLwgCRecHo,20814
+musica-0.11.1.0.dist-info/RECORD,,
+musica-0.11.1.0.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357

{musica-0.11.0.dist-info → musica-0.11.1.0.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: scikit-build-core 0.11.2
+Generator: scikit-build-core 0.11.3
 Root-Is-Purelib: false
 Tag: cp310-cp310-manylinux_2_17_i686
 Tag: cp310-cp310-manylinux2014_i686