Merge pull request #14 from prisms-center/2.0a3

2.0a3

.github/workflows/test-linux-build.yml

@@ -3,11 +3,14 @@ name: Testing build on ubuntu-latest
 on: [push, pull_request]
 
 env:
-  SKBUILD_CONFIGURE_OPTIONS: -DCMAKE_CXX_FLAGS='-D_GLIBCXX_USE_CXX11_ABI=0'
   SKBUILD_BUILD_OPTIONS: --verbose
 
 jobs:
+  build-depends:
+    uses: ./.github/workflows/test-linux-dependencies.yml
+
   build:
+    needs: build-depends
     runs-on: ubuntu-latest
     timeout-minutes: 60
     steps:
@@ -21,16 +24,28 @@ jobs:
           sudo apt-get update
           sudo apt-get install build-essential cmake
           pip install --upgrade pip wheel build
-          pip install -r test_requirements.txt
-          echo "SKBUILD_CONFIGURE_OPTIONS=${{ env.SKBUILD_CONFIGURE_OPTIONS }}" >> "$GITHUB_ENV"
           echo "SKBUILD_BUILD_OPTIONS=${{ env.SKBUILD_BUILD_OPTIONS }}" >> "$GITHUB_ENV"
 
+      ### libcasm-global ###
+      - name: restore libcasm-global cache
+        id: cache-libcasm-global-restore
+        uses: actions/cache/restore@v3
+        with:
+          path: CASMcode_global/dist
+          key: ${{ runner.os }}-libcasm-global-v2-0-3
+
+      - name: Install CASM dependencies
+        run: |
+          pip install CASMcode_global/dist/*.whl
+          pip install -r build_requirements.txt
+          pip install -r test_requirements.txt
+
       - name: make
         shell: bash
         run: |
           python -m build
 
-      - name: install
+      - name: make install
         shell: bash
         run: |
           pip install dist/*.whl
@@ -39,10 +54,3 @@ jobs:
         shell: bash
         run: |
           python -m pytest -rsap python/tests
-
-      - name: upload libcasm-xtal-ubuntu-latest-x86_64-dist
-        if: always()
-        uses: actions/upload-artifact@v3
-        with:
-          name: libcasm-xtal-ubuntu-latest-x86_64-dist
-          path: dist

.github/workflows/test-linux-cxx-only.yml

@@ -2,7 +2,13 @@ name: Testing c++ only on ubuntu-latest
 
 on: [push, pull_request]
 
+env:
+  SKBUILD_BUILD_OPTIONS: --verbose
+
 jobs:
+  build-depends:
+    uses: ./.github/workflows/test-linux-dependencies.yml
+
   build:
     runs-on: ubuntu-latest
     timeout-minutes: 60
@@ -16,14 +22,28 @@ jobs:
         run: |
           sudo apt-get update
           sudo apt-get install build-essential cmake
+          pip install --upgrade pip wheel build
+          echo "SKBUILD_BUILD_OPTIONS=${{ env.SKBUILD_BUILD_OPTIONS }}" >> "$GITHUB_ENV"
+
+      ### libcasm-global ###
+      - name: restore libcasm-global cache
+        id: cache-libcasm-global-restore
+        uses: actions/cache/restore@v3
+        with:
+          path: CASMcode_global/dist
+          key: ${{ runner.os }}-libcasm-global-v2-0-3
+
+      - name: Install CASM dependencies
+        run: |
+          pip install CASMcode_global/dist/*.whl
           pip install -r build_requirements.txt
 
       - name: configure
         shell: bash
         run: |
           mkdir build_cxx_only
           cd build_cxx_only
-          cmake -DCMAKE_CXX_FLAGS='-D_GLIBCXX_USE_CXX11_ABI=0' -DCMAKE_BUILD_TYPE=Release ..
+          cmake -DCMAKE_BUILD_TYPE=Release ..
 
       - name: make
         shell: bash
@@ -42,7 +62,7 @@ jobs:
         run: |
           mkdir build_cxx_test
           cd build_cxx_test
-          cmake -DCMAKE_CXX_FLAGS='-D_GLIBCXX_USE_CXX11_ABI=0' -DCMAKE_BUILD_TYPE=Release ../tests
+          cmake -DCMAKE_BUILD_TYPE=Release ../tests
 
       - name: make tests
         shell: bash

.github/workflows/test-linux-dependencies.yml

@@ -0,0 +1,53 @@
+name: Build CASM dependencies on Ubuntu
+
+on:
+  workflow_call:
+
+jobs:
+  build-depends:
+    runs-on: ubuntu-latest
+    timeout-minutes: 60
+    steps:
+      - uses: actions/setup-python@v4
+        with:
+          python-version: '3.x'
+
+      - name: Set up requirements & configuration variables
+        run: |
+          sudo apt-get update
+          sudo apt-get install build-essential cmake
+          pip install --upgrade pip wheel build
+
+      ### libcasm-global ###
+      - name: restore libcasm-global cache
+        id: cache-libcasm-global-restore
+        uses: actions/cache/restore@v3
+        with:
+          path: CASMcode_global/dist
+          key: ${{ runner.os }}-libcasm-global-v2-0-3
+
+      - name: checkout libcasm-global
+        if: steps.cache-libcasm-global-restore.outputs.cache-hit != 'true'
+        uses: actions/checkout@v3
+        with:
+          repository: prisms-center/CASMcode_global
+          path: CASMcode_global
+          ref: v2.0.3
+
+      - name: make global
+        if: steps.cache-libcasm-global-restore.outputs.cache-hit != 'true'
+        shell: bash
+        run: |
+          cd CASMcode_global
+          git submodule update --init --recursive
+          python -m build
+          pip install dist/*.whl
+          pip install -r test_requirements.txt
+          python -m pytest -rsap python/tests
+
+      - name: save libcasm-global cache
+        id: cache-libcasm-global-save
+        uses: actions/cache/save@v3
+        with:
+          path: CASMcode_global/dist
+          key: ${{ steps.cache-libcasm-global-restore.outputs.cache-primary-key }}

.github/workflows/test-linux.yml

@@ -3,11 +3,14 @@ name: Testing on ubuntu-latest
 on: [push, pull_request]
 
 env:
-  SKBUILD_CONFIGURE_OPTIONS: -DCMAKE_CXX_FLAGS='-D_GLIBCXX_USE_CXX11_ABI=0'
   SKBUILD_BUILD_OPTIONS: --verbose
 
 jobs:
+  build-depends:
+    uses: ./.github/workflows/test-linux-dependencies.yml
+
   build:
+    needs: build-depends
     runs-on: ubuntu-latest
     timeout-minutes: 60
     steps:
@@ -21,10 +24,21 @@ jobs:
           sudo apt-get update
           sudo apt-get install build-essential cmake
           pip install --upgrade pip wheel
-          pip install -r test_requirements.txt
-          echo "SKBUILD_CONFIGURE_OPTIONS=${{ env.SKBUILD_CONFIGURE_OPTIONS }}" >> "$GITHUB_ENV"
           echo "SKBUILD_BUILD_OPTIONS=${{ env.SKBUILD_BUILD_OPTIONS }}" >> "$GITHUB_ENV"
 
+      ### libcasm-global ###
+      - name: restore libcasm-global cache
+        id: cache-libcasm-global-restore
+        uses: actions/cache/restore@v3
+        with:
+          path: CASMcode_global/dist
+          key: ${{ runner.os }}-libcasm-global-v2-0-3
+
+      - name: Install CASM dependencies
+        run: |
+          pip install CASMcode_global/dist/*.whl
+          pip install -r build_requirements.txt
+
       - name: make
         shell: bash
         run: |
@@ -33,6 +47,7 @@ jobs:
       - name: make test
         shell: bash
         run: |
+          pip install -r test_requirements.txt
           python -m pytest -rsap python/tests
 
       - name: Set up doc requirements

CHANGELOG.md

@@ -6,7 +6,7 @@ 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).
 
 
-## [2.0a2] - 2023-08-11
+## [2.0a3] - 2023-08-11
 
 This release separates out casm/crystallography from CASM v1, in particular removing remaining dependencies on casm/symmetry for constructing symmetry representations and getting basic symmetry operation info. It creates a Python package, libcasm.xtal, that enables using casm/crystallography and may be installed via pip install, using scikit-build, CMake, and pybind11. This release also includes usage and API documentation for using libcasm.xtal, built using Sphinx.
 

CMakeLists.txt

@@ -187,7 +187,13 @@ target_link_libraries(casm_crystallography
   ${CMAKE_DL_LIBS}
   CASM::casm_global
 )
-
+if(APPLE)
+  set_target_properties(
+    casm_crystallography PROPERTIES INSTALL_RPATH "@loader_path")
+else()
+  set_target_properties(
+    casm_crystallography PROPERTIES INSTALL_RPATH "$ORIGIN")
+endif()
 
 ##############################################
 ## Install libcasm_crystallography

CMakeLists.txt.in

@@ -96,7 +96,13 @@ target_link_libraries(casm_crystallography
   ${CMAKE_DL_LIBS}
   CASM::casm_global
 )
-
+if(APPLE)
+  set_target_properties(
+    casm_crystallography PROPERTIES INSTALL_RPATH "@loader_path")
+else()
+  set_target_properties(
+    casm_crystallography PROPERTIES INSTALL_RPATH "$ORIGIN")
+endif()
 
 ##############################################
 ## Install libcasm_crystallography

pyproject.toml

@@ -12,7 +12,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "libcasm-xtal"
-version = "2.0a2"
+version = "2.0a3"
 authors = [
   { name="CASM developers", email="[email protected]" },
 ]

python/doc/conf.py

@@ -96,7 +96,7 @@
 # The short X.Y version.
 version = "2.0"
 # The full version, including alpha/beta/rc tags.
-release = "2.0a2"
+release = "2.0a3"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

python/setup.py

@@ -1,6 +1,6 @@
 import os
 
-__version__ = "2.0a2"
+__version__ = "2.0a3"
 
 # Available at setup time due to pyproject.toml
 from pybind11.setup_helpers import Pybind11Extension, build_ext

setup.py

@@ -2,7 +2,7 @@
 
 setup(
     name="libcasm-xtal",
-    version="2.0a2",
+    version="2.0a3",
     packages=["libcasm", "libcasm.xtal"],
     package_dir={"": "python"},
     cmake_install_dir="python/libcasm",