bump version 2.0a4

prisms-center · Jul 12, 2024 · 6a9bfd3 · 6a9bfd3
1 parent f5869df
commit 6a9bfd3
Show file tree

Hide file tree

Showing 15 changed files with 88 additions and 44 deletions.
diff --git a/.cirrus.yml b/.cirrus.yml
@@ -1,6 +1,6 @@
 build_and_store_wheels: &BUILD_AND_STORE_WHEELS
   install_cibuildwheel_script:
-    - python -m pip install cibuildwheel==2.17.0
+    - python -m pip install cibuildwheel==2.19.2
   run_cibuildwheel_script:
     - cibuildwheel
   wheels_artifacts:
@@ -16,17 +16,23 @@ linux_aarch64_task:
     cpu: 4
     memory: 4G
   env:
-    CIBW_ARCHS_LINUX: aarch64
+    VENV_ROOT: ${HOME}/venv-cibuildwheel
+    PATH: ${VENV_ROOT}/bin:${PATH}
   install_pre_requirements_script:
-    - apt install -y python3-venv python-is-python3
+    - add-apt-repository -y ppa:deadsnakes/ppa
+    - apt-get update
+    - apt-get install -y python3.12-venv
+    - python3.12 -m venv ${VENV_ROOT}
   <<: *BUILD_AND_STORE_WHEELS
 
 macos_arm64_task:
   name: Build macOS arm64 wheels.
   macos_instance:
     image: ghcr.io/cirruslabs/macos-sonoma-xcode
   env:
-    PATH: /opt/homebrew/opt/[email protected]/libexec/bin:$PATH
+    VENV_ROOT: ${HOME}/venv-cibuildwheel
+    PATH: ${VENV_ROOT}/bin:${PATH}
   install_pre_requirements_script:
-    - brew install [email protected]
+    - brew install [email protected]
+    - python3.12 -m venv ${VENV_ROOT}
   <<: *BUILD_AND_STORE_WHEELS
diff --git a/.github/workflows/build_wheels.yml b/.github/workflows/build_wheels.yml
@@ -1,6 +1,10 @@
 name: Build wheels
 
-on: [push, pull_request]
+on:
+  push:
+  pull_request:
+  schedule:
+    - cron: '0 12 * * 0'
 
 jobs:
   build_wheels_linux_x86_64:
@@ -20,7 +24,7 @@ jobs:
           name: dist_linux
           path: ./wheelhouse/*.whl
 
-  build_wheels_macos_x86_64:
+  build_wheels_macos12_x86_64:
     name: Build x86_64 wheels on macos-12
     runs-on: macos-12
 
@@ -34,7 +38,24 @@ jobs:
 
       - uses: actions/upload-artifact@v4
         with:
-          name: dist_macos
+          name: dist_macos12_x86_64
+          path: ./wheelhouse/*.whl
+
+  build_wheels_macos14_arm64:
+    name: Build arm64 wheels on macos-14
+    runs-on: macos-14
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Build wheels
+        uses: pypa/[email protected]
+        env:
+          CIBW_ARCHS_MACOS: arm64
+
+      - uses: actions/upload-artifact@v4
+        with:
+          name: dist_macos14_arm64
           path: ./wheelhouse/*.whl
 
   build_sdist:

diff --git a/.github/workflows/test-linux-build.yml b/.github/workflows/test-linux-build.yml
@@ -1,6 +1,10 @@
 name: Testing build on ubuntu-latest
 
-on: [push, pull_request]
+on:
+  push:
+  pull_request:
+  schedule:
+    - cron: '0 12 * * 0'
 
 env:
   SKBUILD_BUILD_OPTIONS: --verbose
@@ -32,15 +36,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_global/dist
-          key: ${{ runner.os }}-libcasm-global-v2-0-4
+          key: ${{ runner.os }}-libcasm-global-v2-0-5
 
       ### libcasm-xtal ###
       - name: restore libcasm-xtal cache
         id: cache-libcasm-xtal-restore
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_crystallography/dist
-          key: ${{ runner.os }}-libcasm-xtal-v2-0a9
+          key: ${{ runner.os }}-libcasm-xtal-v2-0a10
 
       - name: Install CASM dependencies
         run: |

diff --git a/.github/workflows/test-linux-cxx-only.yml b/.github/workflows/test-linux-cxx-only.yml
@@ -1,6 +1,10 @@
 name: Testing c++ only on ubuntu-latest
 
-on: [push, pull_request]
+on:
+  push:
+  pull_request:
+  schedule:
+    - cron: '0 12 * * 0'
 
 env:
   SKBUILD_BUILD_OPTIONS: --verbose
@@ -32,15 +36,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_global/dist
-          key: ${{ runner.os }}-libcasm-global-v2-0-4
+          key: ${{ runner.os }}-libcasm-global-v2-0-5
 
       ### libcasm-xtal ###
       - name: restore libcasm-xtal cache
         id: cache-libcasm-xtal-restore
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_crystallography/dist
-          key: ${{ runner.os }}-libcasm-xtal-v2-0a9
+          key: ${{ runner.os }}-libcasm-xtal-v2-0a10
 
       - name: Install CASM dependencies
         run: |

diff --git a/.github/workflows/test-linux-dependencies.yml b/.github/workflows/test-linux-dependencies.yml
@@ -24,15 +24,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_global/dist
-          key: ${{ runner.os }}-libcasm-global-v2-0-4
+          key: ${{ runner.os }}-libcasm-global-v2-0-5
 
       - name: checkout libcasm-global
         if: steps.cache-libcasm-global-restore.outputs.cache-hit != 'true'
         uses: actions/checkout@v4
         with:
           repository: prisms-center/CASMcode_global
           path: CASMcode_global
-          ref: v2.0.4
+          ref: v2.0.5
 
       - name: make global
         if: steps.cache-libcasm-global-restore.outputs.cache-hit != 'true'
@@ -58,15 +58,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_crystallography/dist
-          key: ${{ runner.os }}-libcasm-xtal-v2-0a9
+          key: ${{ runner.os }}-libcasm-xtal-v2-0a10
 
       - name: checkout libcasm-xtal
         if: steps.cache-libcasm-xtal-restore.outputs.cache-hit != 'true'
         uses: actions/checkout@v4
         with:
           repository: prisms-center/CASMcode_crystallography
           path: CASMcode_crystallography
-          ref: v2.0a9
+          ref: v2.0a10
 
       - name: make xtal
         if: steps.cache-libcasm-xtal-restore.outputs.cache-hit != 'true'

diff --git a/.github/workflows/test-linux.yml b/.github/workflows/test-linux.yml
@@ -1,6 +1,10 @@
 name: Testing on ubuntu-latest
 
-on: [push, pull_request]
+on:
+  push:
+  pull_request:
+  schedule:
+    - cron: '0 12 * * 0'
 
 env:
   SKBUILD_BUILD_OPTIONS: --verbose
@@ -32,15 +36,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_global/dist
-          key: ${{ runner.os }}-libcasm-global-v2-0-4
+          key: ${{ runner.os }}-libcasm-global-v2-0-5
 
       ### libcasm-xtal ###
       - name: restore libcasm-xtal cache
         id: cache-libcasm-xtal-restore
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_crystallography/dist
-          key: ${{ runner.os }}-libcasm-xtal-v2-0a9
+          key: ${{ runner.os }}-libcasm-xtal-v2-0a10
 
       - name: Install CASM dependencies
         run: |

diff --git a/.github/workflows/test-macos-build.yml b/.github/workflows/test-macos-build.yml
@@ -1,6 +1,10 @@
 name: Testing build on macos-latest
 
-on: [push, pull_request]
+on:
+  push:
+  pull_request:
+  schedule:
+    - cron: '0 12 * * 0'
 
 jobs:
   build:

diff --git a/.github/workflows/test-macos.yml b/.github/workflows/test-macos.yml
@@ -1,6 +1,10 @@
 name: Testing on macos-latest
 
-on: [push, pull_request]
+on:
+  push:
+  pull_request:
+  schedule:
+    - cron: '0 12 * * 0'
 
 jobs:
   build:

diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -5,7 +5,7 @@ All notable changes to `libcasm-mapping` will be documented in this file.
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
-## [Unreleased]
+## [v2.0a4] - 2024-07-12
 
 ### Added
 
@@ -15,6 +15,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 - Changed default `atom_cost_f` for libcasm.mapping.mapsearch.MappingSearch to IsotropicAtomCost.
 - Changed MappingSearch node insertion so that nodes are only added to the queue if the total cost is less than or equal to the current max_cost instead of always.
+- Wheels compiled with numpy>=2.0.0
 
 ### Fixed
 

diff --git a/build_requirements.txt b/build_requirements.txt
@@ -4,5 +4,5 @@ scikit-build
 cmake>=3.20
 ninja
 pybind11>=2.6
-libcasm-global>=2.0.4
-libcasm-xtal>=2.0a9
+libcasm-global>=2.0.5
+libcasm-xtal>=2.0a10
diff --git a/pyproject.toml b/pyproject.toml
@@ -6,14 +6,14 @@ requires = [
     "cmake>=3.20",
     "ninja",
     "pybind11>=2.6",
-    "libcasm-global>=2.0.4",
-    "libcasm-xtal>=2.0a9",
+    "libcasm-global>=2.0.5",
+    "libcasm-xtal>=2.0a10",
 ]
 build-backend = "setuptools.build_meta"
 
 [project]
 name = "libcasm-mapping"
-version = "2.0a3"
+version = "2.0a4"
 authors = [
   { name="CASM developers", email="[email protected]" },
 ]
@@ -29,8 +29,8 @@ classifiers = [
     "Topic :: Scientific/Engineering",
 ]
 dependencies = [
-  "libcasm-global>=2.0.4",
-  "libcasm-xtal>=2.0a9",
+  "libcasm-global>=2.0.5",
+  "libcasm-xtal>=2.0a10",
   "numpy",
 ]
 
@@ -39,13 +39,13 @@ Homepage = "https://prisms-center.github.io/CASMcode_docs/"
 Repository = "https://github.com/prisms-center/CASMcode_mapping"
 
 
-[tool.ruff]
-select = ["E", "F", "I"]
+[tool.ruff.lint]
+select = ["NPY201", "E", "F", "I"]
 
-[tool.ruff.per-file-ignores]
+[tool.ruff.lint.per-file-ignores]
 "__init__.py" = ["F401"]
 
-[tool.ruff.isort]
+[tool.ruff.lint.isort]
 known-first-party = ["libcasm", "casm"]
 
 

diff --git a/python/doc/conf.py b/python/doc/conf.py
@@ -3,14 +3,13 @@
 # -- package specific configuration --
 project = "libcasm-mapping"
 version = "2.0"  # The short X.Y version.
-release = "2.0a3"  # The full version, including alpha/beta/rc tags.
+release = "2.0a4"  # The full version, including alpha/beta/rc tags.
 project_desc = "CASM structure mapping"
 logo_text = "libcasm-mapping"
 github_url = "https://github.com/prisms-center/CASMcode_mapping/"
 pypi_url = "https://pypi.org/project/libcasm-mapping/"
 intersphinx_libcasm_packages = [("global", "2.0"), ("xtal", "2.0")]
 
-
 # -- CASM common configuration ---
 
 # -*- coding: utf-8 -*-
@@ -62,7 +61,6 @@
 
 print(intersphinx_mapping)
 
-
 # Add any Sphinx extension module names here, as strings. They can be
 # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
 # ones.

diff --git a/python/pyproject.toml b/python/pyproject.toml
@@ -4,7 +4,7 @@ requires = [
     "setuptools",
     "wheel",
     "pybind11>=2.8.0",
-    "libcasm-global>=2.0.4",
-    "libcasm-xtal>=2.0a9",
+    "libcasm-global>=2.0.5",
+    "libcasm-xtal>=2.0a10",
 ]
 build-backend = "setuptools.build_meta"
diff --git a/python/setup.py b/python/setup.py
@@ -1,6 +1,6 @@
 import os
 
-__version__ = "2.0a3"
+__version__ = "2.0a4"
 
 # Available at setup time due to pyproject.toml
 from pybind11.setup_helpers import Pybind11Extension, build_ext
@@ -37,7 +37,6 @@
     "-lcasm_mapping",
 ]
 
-
 # The main interface is through Pybind11Extension.
 # * You can add cxx_std=11/14/17, and then build_ext can be removed.
 # * You can set include_pybind11=false to add the include directory yourself,
@@ -82,7 +81,6 @@
     ),
 ]
 
-
 setup(
     name="libcasm-mapping",
     version=__version__,

diff --git a/setup.py b/setup.py
@@ -2,7 +2,7 @@
 
 setup(
     name="libcasm-mapping",
-    version="2.0a3",
+    version="2.0a4",
     packages=[
         "libcasm",
         "libcasm.mapping",