Merge pull request #65 from regro-cf-autotick-bot/7.0.0_h8d57aa

libxc v7.0.0
conda-forge · Oct 11, 2024 · 48a5adf · 48a5adf
2 parents 56a45c0 + 0b057ac
commit 48a5adf
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Showing 19 changed files with 23 additions and 87 deletions.
diff --git a/.azure-pipelines/azure-pipelines-win.yml b/.azure-pipelines/azure-pipelines-win.yml
diff --git a/...ompilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml b/...ompilernvcccuda_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/...ercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml b/...ercuda-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/...ompilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml b/...ompilerNonecuda_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/...ompilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml b/...ompilernvcccuda_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/...ercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml b/...ercuda-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/...ompilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml b/...ompilerNonecuda_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/...ompilernvcccuda_compiler_version11.8cxx_compiler_version11fortran_compiler_version11.yaml b/...ompilernvcccuda_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/...ercuda-nvcccuda_compiler_version12.0cxx_compiler_version12fortran_compiler_version12.yaml b/...ercuda-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/...ompilerNonecuda_compiler_versionNonecxx_compiler_version13fortran_compiler_version13.yaml b/...ompilerNonecuda_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
@@ -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
@@ -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/...ort/win_64_cuda_compiler_versionNone.yaml → ...ompilerNonecuda_compiler_versionNone.yaml b/...ort/win_64_cuda_compiler_versionNone.yaml → ...ompilerNonecuda_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
diff --git a/.scripts/run_win_build.bat b/.scripts/run_win_build.bat
diff --git a/README.md b/README.md
diff --git a/build-locally.py b/build-locally.py
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
@@ -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:

diff --git 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_" %}
 
@@ -12,11 +12,11 @@ source:
   patches:
     - 0001-disable-longest-4th-deriv-offenders-and-rework-deriv.patch
     - 0002-treat-pylibxc-as-independent-project.patch
-    - 0003-cmake-cuda.patch
-  sha256: f72ed08af7b9dff5f57482c5f97bff22c7dc49da9564bc93871997cbda6dacf3
+    # incorporated into v7.0.0 - 0003-cmake-cuda.patch
+  sha256: e9ae69f8966d8de6b7585abd9fab588794ada1fab8f689337959a35abbf9527d
 
 build:
-  number: 6
+  number: 0
   skip: true  # [not linux and cuda_compiler_version != "None"]
 
 requirements:
@@ -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]