Merge pull request #29 from regro-cf-autotick-bot/bot-pr_arch_ha30aa5

Arch Migrator

.ci_support/linux_aarch64_.yaml

@@ -0,0 +1,38 @@
+BUILD:
+- aarch64-conda_cos7-linux-gnu
+c_compiler:
+- gcc
+c_compiler_version:
+- '13'
+c_stdlib:
+- sysroot
+c_stdlib_version:
+- '2.17'
+cdt_arch:
+- aarch64
+cdt_name:
+- cos7
+channel_sources:
+- conda-forge
+channel_targets:
+- conda-forge main
+cxx_compiler:
+- gxx
+cxx_compiler_version:
+- '13'
+docker_image:
+- quay.io/condaforge/linux-anvil-cos7-x86_64
+fortran_compiler:
+- gfortran
+fortran_compiler_version:
+- '13'
+libboost_headers:
+- '1.86'
+target_platform:
+- linux-aarch64
+zip_keys:
+- - c_compiler_version
+  - cxx_compiler_version
+  - fortran_compiler_version
+- - c_stdlib_version
+  - cdt_name

.ci_support/linux_ppc64le_.yaml

@@ -0,0 +1,34 @@
+c_compiler:
+- gcc
+c_compiler_version:
+- '13'
+c_stdlib:
+- sysroot
+c_stdlib_version:
+- '2.17'
+cdt_name:
+- cos7
+channel_sources:
+- conda-forge
+channel_targets:
+- conda-forge main
+cxx_compiler:
+- gxx
+cxx_compiler_version:
+- '13'
+docker_image:
+- quay.io/condaforge/linux-anvil-cos7-x86_64
+fortran_compiler:
+- gfortran
+fortran_compiler_version:
+- '13'
+libboost_headers:
+- '1.86'
+target_platform:
+- linux-ppc64le
+zip_keys:
+- - c_compiler_version
+  - cxx_compiler_version
+  - fortran_compiler_version
+- - c_stdlib_version
+  - cdt_name

conda-forge.yml

@@ -1,11 +1,16 @@
 azure:
   store_build_artifacts: false
 build_platform:
+  linux_aarch64: linux_64
+  linux_ppc64le: linux_64
   osx_arm64: osx_64
 conda_build:
   pkg_format: '2'
 conda_forge_output_validation: true
 github:
   branch_name: main
   tooling_branch_name: main
+provider:
+  linux_aarch64: default
+  linux_ppc64le: default
 test: native_and_emulated

recipe/NOTES

@@ -94,3 +94,20 @@ diff -Naur src/configuration.cc.cmake.in src/configuration.cc.cmake.in_bigam > 0
     -D WITH_ERI3_MAX_AM="6;5;4" \
     -D WITH_ERI2_MAX_AM="6;5;4" \
     -D WITH_MAX_AM="6;5;4"
+
+# c-f little bells (for aarch64)
+#   uploaded as libint-2.9.0-5-5-3-6-6-4_mm10f12ob2_0.tgz (at v2.9.0 tag; patched)
+./configure \
+    --enable-eri=2 \
+    --enable-eri3=2 \
+    --enable-eri2=2 \
+    --enable-1body=2 \
+    --enable-g12=1 \
+    --disable-1body-property-derivs \
+    --with-multipole-max-order=10 \
+    --with-g12-max-am=4 \
+    --with-eri-max-am=5,5,3 \
+    --with-eri3-max-am=6,6,4 \
+    --with-eri2-max-am=6,6,4 \
+    --with-max-am=5,5,3
+

recipe/meta.yaml

@@ -14,6 +14,9 @@
 {% set url_basic = "https://github.com/loriab/libint/releases/download/v0.1/libint-2.9.0-6-6-7-7_mm10f12ob2_0.tgz" %}
 {% set sha256_basic = "9f3061886e7ace9bad253d8a8a2098cb77ea2d8a63a518f3dfe4dd994633a37c" %}
 
+{% set url_littlebells = "https://github.com/loriab/libint/releases/download/v0.1/libint-2.9.0-5-5-3-6-6-4_mm10f12ob2_0.tgz" %}
+{% set sha256_littlebells = "6b751648f7b69fc585f5ae1a426dcdcfb4bd0844c424b9f69604ca5a6a148de1" %}
+
 # source tarball pattern for upstream
 # {% set url = "https://github.com/evaleev/{{ name }}/releases/download/v{{ version }}/{{ name }}-{{ version }}.tgz" %}
 
@@ -23,18 +26,21 @@ package:
 
 source:
   # url: {{ url_toy }}
-  url: {{ url_bells }}        # [unix]
+  url: {{ url_bells }}        # [unix and not aarch64]
   url: {{ url_basic }}        # [win]
+  url: {{ url_littlebells }}  # [aarch64]
   # sha256: {{ sha256_toy }}
-  sha256: {{ sha256_bells }}  # [unix]
+  sha256: {{ sha256_bells }}  # [unix and not aarch64]
   sha256: {{ sha256_basic }}  # [win]
+  sha256: {{ sha256_littlebells }}  # [aarch64]
   # note: source/url above is a tarball of generated library source code.
   # * the upstream generator project is: https://github.com/evaleev/libint
   # * tarballs aren't upstream release artifacts but have been generated with
   #   different configuration from upstream release tag. See NOTES file.
+  # * W times out and linux-aarch64 abandons at ~5h, so these use smaller src
 
 build:
-  number: 1
+  number: 2
   binary_relocation: true
   run_exports:
     - {{ pin_subpackage('libint', max_pin='x') }}
@@ -48,6 +54,7 @@ build:
 
 requirements:
   build:
+    - {{ stdlib("c") }}
     - {{ compiler('cxx') }}
     - {{ compiler('c') }}
     - {{ stdlib("c") }}
@@ -57,9 +64,10 @@ requirements:
   host:
     # note: alternately, could withhold boost here so that a vendored subset of boost headers gets installed
     #   at include/libint2/boost/ . Then downstream builds against libint2 don't need a Boost dependency.
+    # * OpenMP not present in L2 afaik, but included for continuity with earlier builds
     - libboost-headers
     - eigen
-    - openmp  # [linux or (osx and not arm64)]
+    - openmp  # [(linux and not (aarch64 or ppc64le)) or (osx and not arm64)]
 
 test:
   requires: