Experimental support for statically linked NOMAD

.github/workflows/ci-next.yml

@@ -0,0 +1,78 @@
+name: Continuous integration, next version.
+
+on:
+  workflow_dispatch:
+
+jobs:
+
+  build:
+    strategy:
+      fail-fast: false
+      matrix:
+        target:
+          - name: Windows
+            os: windows-latest
+          - name: Ubuntu
+            os: ubuntu-latest
+          - name: macOS
+            os: macos-latest
+        feature:
+          - name: with PyNomad enabled
+            python: true
+            option: >-
+              -DTEST_OPENMP=OFF 
+              -DBUILD_INTERFACE_PYTHON=ON 
+              -DBUILD_INTERFACE_C=ON
+              -DBUILD_EXAMPLES=ON 
+          - name: with OpenMP enabled
+            python: false
+            option: >-
+              -DTEST_OPENMP=ON
+              -DBUILD_INTERFACE_PYTHON=OFF
+              -DBUILD_INTERFACE_C=ON
+              -DBUILD_EXAMPLES=ON 
+
+    name: ${{ matrix.target.name }} ${{ matrix.feature.name }}
+    runs-on: ${{ matrix.target.os }}
+
+    steps:
+      - uses: actions/checkout@v3
+      - uses: actions/setup-python@v4
+        with:
+          python-version: '3.10'
+
+      # Prepare environment
+
+      - name: Prepare Python environment
+        run: >-
+          pip install setuptools wheel cython pytest
+        if: ${{ matrix.feature.python }}
+
+      # Configure, build and install NOMAD
+
+      - name: Configure
+        run: >-
+          cmake ${{ matrix.feature.option }} -B build -S . 
+
+      - name: Build 
+        run: >-
+          cmake --build build --config Release --clean-first --parallel 2 
+
+      - name: Install
+        run: >-
+          cmake --install build
+
+      # Execute tests
+
+      - name: Test (standard examples)
+        run: >-
+          ctest -C Release --test-dir build
+
+      - name: Test (PyNomad wheel)
+        shell: bash
+        run: |-
+          cd interfaces/PyNomad
+          pip install --force-reinstall dist/*.whl
+          pytest
+        if: ${{ matrix.feature.python }}
+

.github/workflows/pypi.yml

@@ -0,0 +1,88 @@
+name: Build and publish binary wheels onto PyPi
+
+on:
+  workflow_dispatch:
+
+jobs:
+
+  build:
+    strategy:
+      fail-fast: false
+      matrix:
+        target:
+          - name: Windows
+            os: windows-latest
+            archs: AMD64
+            msvc: 1
+
+          - name: Ubuntu
+            os: ubuntu-latest
+            archs: x86_64
+
+          - name: macOS
+            os: macos-latest
+            archs: x86_64
+
+    name: Wheels for ${{ matrix.target.name }} 
+    runs-on: ${{ matrix.target.os }}
+
+    steps:
+      - uses: actions/checkout@v3
+      - uses: actions/setup-python@v4
+        with:
+          python-version: '3.10'
+
+      - name: Build binary wheels
+        uses: pypa/[email protected]
+        env:
+          CIBW_ARCHS: >-
+            ${{ matrix.target.archs }}
+          CIBW_BEFORE_ALL: >-
+            cmake -DTEST_OPENMP=OFF -DBUILD_INTERFACE_PYTHON=OFF -DBUILD_EXAMPLES=OFF -S . -B build &&
+            cmake --build build --config Release --clean-first --target nomadStatic --parallel 2
+          CIBW_ENVIRONMENT: >-
+            NOMAD_SRC=../../src
+            NOMAD_BUILD_DIR=../../build
+            NOMAD_MSVC_FLAG=${{ matrix.target.msvc }}
+            NOMAD_MSVC_CONF=Release
+          CIBW_PROJECT_REQUIRES_PYTHON: >-
+            >=3.8
+          CIBW_BUILD_FRONTEND: >-
+            build
+          CIBW_BUILD_VERBOITY: >-
+            3
+          CIBW_TEST_COMMAND: >-
+            python -m pytest -s -- {package}/tests
+          CIBW_TEST_REQUIRES: >-
+            pytest
+        with:
+          output-dir: wheelhouse
+          package-dir: interfaces/PyNomad
+
+      - name: Collect wheels for processing
+        uses: actions/upload-artifact@v3
+        with:
+          path: wheelhouse/*.whl
+
+  # We use pypa/gh-action-pypi-publish to upload the binary wheels onto PyPi.
+
+  publish:
+    name: Publish to PyPi (testing)
+    runs-on: ubuntu-latest
+    needs: build
+
+    steps:
+      - name: Collect wheels for publication
+        uses: actions/download-artifact@v3
+        with:
+          name: artifact
+          path: wheelhouse
+
+      - name: Publish wheels to PyPi (testing)
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          repository_url: https://test.pypi.org/legacy/
+          password: ${{ secrets.PYPI_API_TOKEN }}
+          packages_dir: wheelhouse
+          skip_existing: true
+

examples/advanced/library/c_api/example1/CMakeLists.txt

@@ -8,9 +8,9 @@ set_target_properties(example1_c_api.exe PROPERTIES INSTALL_RPATH "${CMAKE_INSTA
 
 
 if(OpenMP_CXX_FOUND)
-    target_link_libraries(example1_c_api.exe PUBLIC nomadAlgos nomadUtils nomadEval nomadCInterface OpenMP::OpenMP_CXX)
+    target_link_libraries(example1_c_api.exe PUBLIC nomadCInterface OpenMP::OpenMP_CXX)
 else()
-    target_link_libraries(example1_c_api.exe PUBLIC nomadAlgos nomadUtils nomadEval nomadCInterface)
+    target_link_libraries(example1_c_api.exe PUBLIC nomadCInterface)
 endif()
 if (WIN32)
 else()

examples/advanced/library/c_api/example2/CMakeLists.txt

@@ -8,9 +8,9 @@ set_target_properties(example2_c_api.exe PROPERTIES INSTALL_RPATH "${CMAKE_INSTA
 
 
 if(OpenMP_CXX_FOUND)
-    target_link_libraries(example2_c_api.exe PUBLIC nomadAlgos nomadUtils nomadEval nomadCInterface OpenMP::OpenMP_CXX)
+    target_link_libraries(example2_c_api.exe PUBLIC nomadCInterface OpenMP::OpenMP_CXX)
 else()
-    target_link_libraries(example2_c_api.exe PUBLIC nomadAlgos nomadUtils nomadEval nomadCInterface)
+    target_link_libraries(example2_c_api.exe PUBLIC nomadCInterface)
 endif()
 if (WIN32)
 else()

ext/sgtelib/CMakeLists.txt

@@ -103,42 +103,18 @@ set(SGTELIB_MAIN_SOURCE src/sgtelib.cpp)
 include(GNUInstallDirs)
 include(CMakePackageConfigHelpers)
 
-# build shared library sgtelib
-add_library (sgtelib SHARED ${SGTELIB_SOURCES})
-target_include_directories(sgtelib PUBLIC
-    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/src>
-    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}/sgtelib>
-    )
-
-# export symbols on Windows
-if (WIN32)
-    target_compile_definitions(sgtelib PRIVATE -DDLL_EXPORTS)
-endif()
-
-#add_executable (sgtelib_main ${SGTELIB_MAIN_SOURCE})
-#set_target_properties(sgtelib_main PROPERTIES INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}")
-#target_include_directories(sgtelib_main PUBLIC
-#    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/src>
-#    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}/sgtelib>
-#)
-#target_link_libraries(sgtelib_main PUBLIC sgtelib)
-
-set_target_properties(sgtelib  PROPERTIES 
-                               VERSION ${SGTELIB_VERSION}
-                               SOVERSION ${SGTELIB_VERSION_MAJOR}.${SGTELIB_VERSION_MINOR})
-
-# installing executables and libraries
-install(TARGETS sgtelib 
-    RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
-    LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
-    PUBLIC_HEADER DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/sgtelib
-    )
-
-# install header files
-install(FILES ${SGTELIB_HEADERS}
-    DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/sgtelib
-    )
-
-
+# Build shared libraries (sgtelib)
+include(./CMakeListsLibs.txt)
+
+# Build static libraries (sgtelibStatic)
+include(./CMakeListsLibsStatic.txt)
+
+# Install header files
+install(
+  FILES 
+    ${SGTELIB_HEADERS}
+  DESTINATION
+    ${CMAKE_INSTALL_INCLUDEDIR}/sgtelib
+)
 
 

ext/sgtelib/CMakeListsLibs.txt

@@ -0,0 +1,50 @@
+# Shared library
+#
+
+add_library(
+  sgtelib
+  SHARED
+    ${SGTELIB_SOURCES}
+)
+
+target_include_directories(
+  sgtelib
+  PUBLIC
+    $<BUILD_INTERFACE: 
+      ${CMAKE_CURRENT_SOURCE_DIR}/src
+    >
+    $<INSTALL_INTERFACE:
+      ${CMAKE_INSTALL_INCLUDEDIR}/sgtelib
+    >
+)
+
+set_target_properties(
+  sgtelib
+  PROPERTIES 
+    VERSION ${SGTELIB_VERSION}
+    SOVERSION ${SGTELIB_VERSION_MAJOR}.${SGTELIB_VERSION_MINOR}
+    OUTPUT_NAME sgtelib
+)
+
+if (WIN32)
+  target_compile_definitions(
+    sgtelib
+    PRIVATE 
+      -DDLL_EXPORTS
+  )
+endif()
+
+# Install the library
+#
+
+install(
+  TARGETS 
+    sgtelib
+  RUNTIME DESTINATION 
+    ${CMAKE_INSTALL_BINDIR}
+  LIBRARY DESTINATION 
+    ${CMAKE_INSTALL_LIBDIR}
+  PUBLIC_HEADER DESTINATION 
+    ${CMAKE_INSTALL_INCLUDEDIR}/sgtelib
+)
+

ext/sgtelib/CMakeListsLibsStatic.txt

@@ -0,0 +1,48 @@
+# Static library
+#
+
+add_library(
+  sgtelibStatic
+  STATIC
+    ${SGTELIB_SOURCES}
+)
+
+target_include_directories(
+  sgtelibStatic
+  PUBLIC
+    $<BUILD_INTERFACE: 
+      ${CMAKE_CURRENT_SOURCE_DIR}/src
+    >
+    $<INSTALL_INTERFACE:
+      ${CMAKE_INSTALL_INCLUDEDIR}/sgtelib
+    >
+)
+
+set_target_properties(
+  sgtelibStatic
+  PROPERTIES 
+    VERSION ${SGTELIB_VERSION}
+    SOVERSION ${SGTELIB_VERSION_MAJOR}.${SGTELIB_VERSION_MINOR}
+    OUTPUT_NAME sgtelibStatic
+)
+
+if (WIN32)
+  target_compile_definitions(
+    sgtelibStatic
+    PRIVATE 
+      -DNOMAD_STATIC_BUILD
+  )
+endif()
+
+# Install the library
+#
+
+install(
+  TARGETS 
+    sgtelibStatic
+  RUNTIME DESTINATION 
+    ${CMAKE_INSTALL_BINDIR}
+  LIBRARY DESTINATION 
+    ${CMAKE_INSTALL_LIBDIR}
+)
+

ext/sgtelib/src/Defines.hpp

@@ -36,7 +36,7 @@
 #include <limits.h>
 
 // CASE Visual Studio C++ compiler
-#ifdef _MSC_VER
+#if defined(_MSC_VER) && !defined(NOMAD_STATIC_BUILD)
 #pragma warning(disable:4251)
 #ifdef DLL_EXPORTS
 #define DLL_API __declspec(dllexport)