From 46a4e92fd6e1b019efa0a235eef8049522824974 Mon Sep 17 00:00:00 2001 From: regro-cf-autotick-bot <36490558+regro-cf-autotick-bot@users.noreply.github.com> Date: Thu, 10 Oct 2024 22:18:29 +0000 Subject: [PATCH 1/5] updated v7.0.0 --- recipe/meta.yaml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 0389f93..db4dd1f 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -1,5 +1,5 @@ {% set name = "libxc" %} -{% set version = "6.2.2" %} +{% set version = "7.0.0" %} {% set cuda_compiler_version = cuda_compiler_version or "None" %} {% set proc_type = "cuda_" if cuda_compiler_version != "None" else "cpu_" %} @@ -13,10 +13,10 @@ source: - 0001-disable-longest-4th-deriv-offenders-and-rework-deriv.patch - 0002-treat-pylibxc-as-independent-project.patch - 0003-cmake-cuda.patch - sha256: f72ed08af7b9dff5f57482c5f97bff22c7dc49da9564bc93871997cbda6dacf3 + sha256: e9ae69f8966d8de6b7585abd9fab588794ada1fab8f689337959a35abbf9527d build: - number: 6 + number: 0 skip: true # [not linux and cuda_compiler_version != "None"] requirements: From 88a3eb22fb307a8d5f6a5bab516b79b50a1869e1 Mon Sep 17 00:00:00 2001 From: regro-cf-autotick-bot <36490558+regro-cf-autotick-bot@users.noreply.github.com> Date: Thu, 10 Oct 2024 22:20:27 +0000 Subject: [PATCH 2/5] MNT: Re-rendered with conda-build 24.9.0, conda-smithy 3.41.1, and conda-forge-pinning 2024.10.10.19.24.06 --- .azure-pipelines/azure-pipelines-win.yml | 4 ++-- ...x_compiler_version11fortran_compiler_version11.yaml | 6 ------ ...x_compiler_version12fortran_compiler_version12.yaml | 6 ------ ...x_compiler_version13fortran_compiler_version13.yaml | 6 ------ ...x_compiler_version11fortran_compiler_version11.yaml | 6 ------ ...x_compiler_version12fortran_compiler_version12.yaml | 6 ------ ...x_compiler_version13fortran_compiler_version13.yaml | 6 ------ ...x_compiler_version11fortran_compiler_version11.yaml | 6 ------ ...x_compiler_version12fortran_compiler_version12.yaml | 6 ------ ...x_compiler_version13fortran_compiler_version13.yaml | 6 ------ .ci_support/osx_64_.yaml | 8 ++------ .ci_support/osx_arm64_.yaml | 8 ++------ ...64_cuda_compilerNonecuda_compiler_versionNone.yaml} | 10 ++++------ .scripts/build_steps.sh | 2 ++ .scripts/run_win_build.bat | 4 ++-- README.md | 4 ++-- build-locally.py | 2 +- 17 files changed, 17 insertions(+), 79 deletions(-) rename .ci_support/{win_64_cuda_compiler_versionNone.yaml => win_64_cuda_compilerNonecuda_compiler_versionNone.yaml} (75%) diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml index 5ac227a..2a3a962 100755 --- a/.azure-pipelines/azure-pipelines-win.yml +++ b/.azure-pipelines/azure-pipelines-win.yml @@ -8,8 +8,8 @@ jobs: vmImage: windows-2022 strategy: matrix: - win_64_cuda_compiler_versionNone: - CONFIG: win_64_cuda_compiler_versionNone + win_64_cuda_compilerNonecuda_compiler_versionNone: + CONFIG: win_64_cuda_compilerNonecuda_compiler_versionNone UPLOAD_PACKAGES: 'True' timeoutInMinutes: 360 variables: diff --git a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml index 4d7fa18..3530e22 100644 --- a/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml +++ b/.ci_support/linux_64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml @@ -10,10 +10,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -53,5 +49,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml index 500bf18..73cc03a 100644 --- a/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml +++ b/.ci_support/linux_64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml @@ -10,10 +10,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -53,5 +49,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/linux_64_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml b/.ci_support/linux_64_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml index 9db94a2..605a5e3 100644 --- a/.ci_support/linux_64_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml +++ b/.ci_support/linux_64_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml @@ -10,10 +10,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -53,5 +49,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml index e0e5c75..5f4553f 100644 --- a/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml @@ -14,10 +14,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -57,5 +53,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml index baa5f75..83b6ac3 100644 --- a/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml @@ -14,10 +14,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -57,5 +53,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/linux_aarch64_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml b/.ci_support/linux_aarch64_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml index 1d0e440..7530a74 100644 --- a/.ci_support/linux_aarch64_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml +++ b/.ci_support/linux_aarch64_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml @@ -14,10 +14,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -57,5 +53,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/linux_ppc64le_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml b/.ci_support/linux_ppc64le_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml index 6bdabdb..4923126 100644 --- a/.ci_support/linux_ppc64le_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml +++ b/.ci_support/linux_ppc64le_c_compiler_version11cuda_compilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml @@ -10,10 +10,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -53,5 +49,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/linux_ppc64le_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml b/.ci_support/linux_ppc64le_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml index c1e9629..08f5aa8 100644 --- a/.ci_support/linux_ppc64le_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml +++ b/.ci_support/linux_ppc64le_c_compiler_version12cuda_compilercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml @@ -10,10 +10,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -53,5 +49,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/linux_ppc64le_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml b/.ci_support/linux_ppc64le_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml index 665c8d2..9ab32a4 100644 --- a/.ci_support/linux_ppc64le_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml +++ b/.ci_support/linux_ppc64le_c_compiler_version13cuda_compilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml @@ -10,10 +10,6 @@ cdt_name: - cos7 channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main cuda_compiler: @@ -53,5 +49,3 @@ zip_keys: - cuda_compiler - cuda_compiler_version - docker_image -- - python - - channel_sources diff --git a/.ci_support/osx_64_.yaml b/.ci_support/osx_64_.yaml index 3a0e0f7..51b1053 100644 --- a/.ci_support/osx_64_.yaml +++ b/.ci_support/osx_64_.yaml @@ -12,12 +12,10 @@ c_stdlib_version: - '10.13' channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main +cuda_compiler: +- None cuda_compiler_version: - None fortran_compiler: @@ -43,5 +41,3 @@ target_platform: zip_keys: - - c_compiler_version - fortran_compiler_version -- - python - - channel_sources diff --git a/.ci_support/osx_arm64_.yaml b/.ci_support/osx_arm64_.yaml index efdc72b..a156cc9 100644 --- a/.ci_support/osx_arm64_.yaml +++ b/.ci_support/osx_arm64_.yaml @@ -12,12 +12,10 @@ c_stdlib_version: - '11.0' channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main +cuda_compiler: +- None cuda_compiler_version: - None fortran_compiler: @@ -43,5 +41,3 @@ target_platform: zip_keys: - - c_compiler_version - fortran_compiler_version -- - python - - channel_sources diff --git a/.ci_support/win_64_cuda_compiler_versionNone.yaml b/.ci_support/win_64_cuda_compilerNonecuda_compiler_versionNone.yaml similarity index 75% rename from .ci_support/win_64_cuda_compiler_versionNone.yaml rename to .ci_support/win_64_cuda_compilerNonecuda_compiler_versionNone.yaml index 10797d0..2d5f687 100644 --- a/.ci_support/win_64_cuda_compiler_versionNone.yaml +++ b/.ci_support/win_64_cuda_compilerNonecuda_compiler_versionNone.yaml @@ -4,12 +4,10 @@ c_stdlib: - vs channel_sources: - conda-forge -- conda-forge -- conda-forge -- conda-forge/label/python_rc,conda-forge -- conda-forge channel_targets: - conda-forge main +cuda_compiler: +- None cuda_compiler_version: - None perl: @@ -27,5 +25,5 @@ python: target_platform: - win-64 zip_keys: -- - python - - channel_sources +- - cuda_compiler + - cuda_compiler_version diff --git a/.scripts/build_steps.sh b/.scripts/build_steps.sh index ba4b251..856f469 100755 --- a/.scripts/build_steps.sh +++ b/.scripts/build_steps.sh @@ -43,6 +43,8 @@ setup_conda_rc "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" source run_conda_forge_build_setup + + # make the build number clobber make_build_number "${FEEDSTOCK_ROOT}" "${RECIPE_ROOT}" "${CONFIG_FILE}" diff --git a/.scripts/run_win_build.bat b/.scripts/run_win_build.bat index 65650bf..a45c34f 100755 --- a/.scripts/run_win_build.bat +++ b/.scripts/run_win_build.bat @@ -24,7 +24,7 @@ set "CONDA_LIBMAMBA_SOLVER_NO_CHANNELS_FROM_INSTALLED=1" :: Provision the necessary dependencies to build the recipe later echo Installing dependencies -mamba.exe install "python=3.10" pip mamba conda-build conda-forge-ci-setup=4 "conda-build>=24.1" -c conda-forge --strict-channel-priority --yes +mamba.exe install pip mamba conda-build conda-forge-ci-setup=4 "conda-build>=24.1" -c conda-forge --strict-channel-priority --yes if !errorlevel! neq 0 exit /b !errorlevel! :: Set basic configuration @@ -48,7 +48,7 @@ if NOT [%HOST_PLATFORM%] == [%BUILD_PLATFORM%] ( ) if NOT [%flow_run_id%] == [] ( - set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --extra-meta flow_run_id=%flow_run_id% remote_url=%remote_url% sha=%sha%" + set "EXTRA_CB_OPTIONS=%EXTRA_CB_OPTIONS% --extra-meta flow_run_id=%flow_run_id% remote_url=%remote_url% sha=%sha%" ) call :end_group diff --git a/README.md b/README.md index 5e34572..5441f12 100644 --- a/README.md +++ b/README.md @@ -108,10 +108,10 @@ Current build status - win_64_cuda_compiler_versionNone + win_64_cuda_compilerNonecuda_compiler_versionNone - variant + variant diff --git a/build-locally.py b/build-locally.py index 8ac9b84..6788aea 100755 --- a/build-locally.py +++ b/build-locally.py @@ -1,5 +1,5 @@ #!/bin/sh -"""exec' "python3" "$0" "$@" #""" # fmt: off # fmt: on +"""exec" "python3" "$0" "$@" #""" # fmt: off # fmt: on # # This file has been generated by conda-smithy in order to build the recipe # locally. From 54d4cdbd0130cbbcd31db1db90f39014d2aef14d Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Fri, 11 Oct 2024 11:37:51 -0400 Subject: [PATCH 3/5] Update 0001-disable-longest-4th-deriv-offenders-and-rework-deriv.patch --- ...disable-longest-4th-deriv-offenders-and-rework-deriv.patch | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/recipe/0001-disable-longest-4th-deriv-offenders-and-rework-deriv.patch b/recipe/0001-disable-longest-4th-deriv-offenders-and-rework-deriv.patch index 1605860..6b6b5be 100644 --- a/recipe/0001-disable-longest-4th-deriv-offenders-and-rework-deriv.patch +++ b/recipe/0001-disable-longest-4th-deriv-offenders-and-rework-deriv.patch @@ -114,8 +114,8 @@ index ada562e..802ace3 100644 # :: # # find_package(Libxc) --# find_package(Libxc 5.1.0 EXACT CONFIG REQUIRED COMPONENTS shared C) -+# find_package(Libxc 6.0.0 EXACT CONFIG REQUIRED COMPONENTS shared C xc_d2) +-# find_package(Libxc 6.0.0 EXACT CONFIG REQUIRED COMPONENTS shared C) ++# find_package(Libxc 7.0.0 EXACT CONFIG REQUIRED COMPONENTS shared C xc_d2) # # # The following variables can be set to guide the search for this package: From bf39e097be16f793604446c599d9899b8acfefa5 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Fri, 11 Oct 2024 11:54:59 -0400 Subject: [PATCH 4/5] Update meta.yaml --- recipe/meta.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index db4dd1f..738e397 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -12,7 +12,7 @@ source: patches: - 0001-disable-longest-4th-deriv-offenders-and-rework-deriv.patch - 0002-treat-pylibxc-as-independent-project.patch - - 0003-cmake-cuda.patch + # incorporated into v7.0.0 - 0003-cmake-cuda.patch sha256: e9ae69f8966d8de6b7585abd9fab588794ada1fab8f689337959a35abbf9527d build: From 0b057ac8d6ed6649807a1a814170db2b86baeb2a Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Fri, 11 Oct 2024 12:40:29 -0400 Subject: [PATCH 5/5] Update meta.yaml --- recipe/meta.yaml | 2 -- 1 file changed, 2 deletions(-) diff --git a/recipe/meta.yaml b/recipe/meta.yaml index 738e397..634b539 100644 --- a/recipe/meta.yaml +++ b/recipe/meta.yaml @@ -136,7 +136,6 @@ outputs: - test ! -f $PREFIX/lib/libxc.a # [unix] - if not exist %PREFIX%\\Library\\lib\\xc.lib exit 1 # [win] - if not exist %PREFIX%\\Library\\bin\\xc.dll exit 1 # [win] - - test -L $PREFIX/lib/libxcf90$SHLIB_EXT # [unix] - test -L $PREFIX/lib/libxcf03$SHLIB_EXT # [unix] # Verify accessories - test -e $PREFIX/include/xc.h # [unix] @@ -146,7 +145,6 @@ outputs: - test -e $PREFIX/lib/cmake/Libxc/LibxcTargets-Fortran.cmake # [unix] - if not exist %PREFIX%\\Library\\lib\\cmake\\Libxc\\LibxcConfig.cmake exit 1 # [win] - test -e $PREFIX/lib/pkgconfig/libxc.pc # [unix] - - test -e $PREFIX/lib/pkgconfig/libxcf90.pc # [unix] - test -e $PREFIX/lib/pkgconfig/libxcf03.pc # [unix] # Inspect linkage - ldd -v $PREFIX/lib/libxcf03$SHLIB_EXT # [linux and build_platform == target_platform]