From 1ca393ff9bdc9310d60f26341a13fa47f0ac92fb Mon Sep 17 00:00:00 2001 From: Kevin Boyd Date: Mon, 18 May 2026 12:07:40 -0400 Subject: [PATCH] Update conda configs for v0.5 release --- .github/workflows/conda-build.yml | 23 +++++++++-------------- 1 file changed, 9 insertions(+), 14 deletions(-) diff --git a/.github/workflows/conda-build.yml b/.github/workflows/conda-build.yml index 8a6b4c8..6a5a3ad 100644 --- a/.github/workflows/conda-build.yml +++ b/.github/workflows/conda-build.yml @@ -38,26 +38,21 @@ jobs: fail-fast: false matrix: include: + # Min python + min rdkit + min cuda supported by the feedstock. - python: "3.10" - rdkit: "2025.3.6" - cuda: "12.9" - config: linux_64_c_stdlib_version2.17cuda_compiler_version12.9librdkit_dev2025.3.6python3.10.____cpython - - python: "3.11" - rdkit: "2025.3.2" - cuda: "12.9" - config: linux_64_c_stdlib_version2.17cuda_compiler_version12.9librdkit_dev2025.3.2python3.11.____cpython + rdkit: "2025.3.3" + cuda: "12.6" + config: linux_64_c_compiler_version13c_stdlib_version2.17cuda_compiler_version12.6cxx_compiler_version13libboost_devel1.86libboost_headers1.86libboost_python_devel1.86librdkit_dev2025.3.3_h4d503be0 + # Intermediate python + intermediate rdkit, covers the middle cuda. - python: "3.12" - rdkit: "2025.3.6" - cuda: "12.9" - config: linux_64_c_stdlib_version2.17cuda_compiler_version12.9librdkit_dev2025.3.6python3.12.____cpython - - python: "3.13" rdkit: "2025.9.2" cuda: "12.9" - config: linux_64_c_stdlib_version2.17cuda_compiler_version12.9librdkit_dev2025.9.2python3.13.____cp313 + config: linux_64_c_compiler_version14c_stdlib_version2.17cuda_compiler_version12.9cxx_compiler_version14libboost_devel1.86libboost_headers1.86libboost_python_devel1.86librdkit_dev2025.9.2_h272ea129 + # Max python + max rdkit + max cuda supported by the feedstock. - python: "3.13" - rdkit: "2025.9.5" + rdkit: "2026.3.1" cuda: "13.0" - config: linux_64_c_stdlib_version2.28cuda_compiler_version13.0librdkit_dev2025.9.5python3.13.____cp313 + config: linux_64_c_compiler_version14c_stdlib_version2.28cuda_compiler_version13.0cxx_compiler_version14libboost_devel1.88libboost_headers1.88libboost_python_devel1.88librdkit_dev2026.3.1_hf8c537c7 steps: - name: Check out source tree