Cmaize refactor (#329)

* slightly shorter * backup * backup * updates for CMaize v1.0.1 * Committing clang-format changes --------- Co-authored-by: github-actions[bot] <github-actions[bot]@users.noreply.github.com>
NWChemEx · Dec 29, 2023 · 982e2b0 · 982e2b0
1 parent 1fe0b1f
commit 982e2b0
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Showing 4 changed files with 112 additions and 64 deletions.
diff --git a/.github/workflows/pull_request.yaml b/.github/workflows/pull_request.yaml
@@ -28,4 +28,4 @@ jobs:
       source_dir: 'include src tests'
       compilers: '["gcc-11", "clang-11"]'
       doc_target: 'pluginplay_cxx_api'
-    secrets: inherit
+    secrets: inherit
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -13,37 +13,35 @@
 # limitations under the License.
 
 cmake_minimum_required(VERSION 3.14)
-SET(VERSION 1.0.0) #TODO: get from git
-project(pluginplay VERSION "${VERSION}" LANGUAGES CXX)
 
-include(FetchContent)
-FetchContent_Declare(
-    nwx_cmake
-    GIT_REPOSITORY https://github.com/NWChemEx/NWXCMake
-)
-FetchContent_MakeAvailable(nwx_cmake)
-set(
-    CMAKE_MODULE_PATH "${CMAKE_MODULE_PATH}" "${nwx_cmake_SOURCE_DIR}/cmake"
-    CACHE STRING ""
-    FORCE
-)
+# Downloads common CMake modules used throughout NWChemEx
+include(cmake/get_nwx_cmake.cmake)
 
-include(get_cmaize)
-include(nwx_versions)
+#Sets the version to whatever git thinks it is
+#include(get_version_from_git)
+#get_version_from_git(pluginplay_version "${CMAKE_CURRENT_LIST_DIR}")
+set(pluginplay_version 1.0.0)
+project(pluginplay VERSION "${pluginplay_version}" LANGUAGES CXX)
 
-### Options ###
-option(BUILD_TESTING "Should we build the tests?" OFF)
-option(BUILD_PYBIND11_PYBINDINGS "Use pybind11 to build Python3 bindings?" OFF)
-option(BUILD_CPPYY_PYBINDINGS "Use Cppyy to build Python3 bindings?" OFF)
-option(BUILD_ROCKSDB "Should we build the RocksDB backend?" OFF)
+include(nwx_versions)
+include(get_cmaize)
 
-# Work out the project paths
+# Work out full paths to the project's include/source dirs
 set(project_inc_dir "${CMAKE_CURRENT_LIST_DIR}/include/${PROJECT_NAME}")
 set(project_src_dir "${CMAKE_CURRENT_LIST_DIR}/src/${PROJECT_NAME}")
 
+# Builds C++ API documentation
 include(nwx_cxx_api_docs)
 nwx_cxx_api_docs("README.md" "${project_inc_dir}" "${project_src_dir}")
 
+### Options ###
+cmaize_option_list(
+    BUILD_TESTING OFF "Should we build unit tests?"
+    BUILD_PYBIND11_PYBINDINGS OFF "Build Pybind11 Python bindings?"
+    BUILD_ROCKSDB OFF "Enable RocksDB backend of the cache?"
+)
+
+### Dependendencies ###
 cmaize_find_or_build_dependency(
     utilities
     URL github.com/NWChemEx/utilities
@@ -71,32 +69,27 @@ cmaize_find_or_build_dependency(
     CMAKE_ARGS BUILD_TESTING=${PARALLELZONE_BUILD_TESTING}
 )
 
+# CI doesn't like this
+#cmaize_find_dependency(
+#    boost_container
+#    URL github.com/boostorg/container
+#    FIND_TARGET Boost::container
+#)
+
 find_package(Boost REQUIRED)
 
-set(pluginplay_depends utilities parallelzone libfort Boost::boost)
-set(ROCKSDB_TARGET "")
-if("${BUILD_ROCKSDB}")
-    set(ROCKSDB_TARGET RocksDB::rocksdb-shared)
-    find_package(RocksDB REQUIRED)
-    # TODO: We need to do a superbuild for RocksDB
-    # cpp_find_or_build_dependency(
-    #     RocksDB
-    #     URL github.com/facebook/rocksdb
-    #     VERSION ${NWX_ROCKSDB_VERSION}
-    #     BUILD_TARGET rocksdb-shared
-    #     FIND_TARGET ${ROCKSDB_TARGET}
-    #     CMAKE_ARGS CMAKE_BUILD_TYPE=Release
-    #                ROCKSDB_BUILD_SHARED=On
-    #                WITH_BENCHMARK_TOOLS=Off
-    #                WITH_GFLAGS=Off
-    #                WITH_TOOLS=OFF
-    #                JNI=OFF
-    #                WITH_TESTS=OFF
-    # )
-    target_compile_definitions(${ROCKSDB_TARGET} INTERFACE BUILD_ROCKS_DB)
-    list(APPEND pluginplay_depends ${ROCKSDB_TARGET})
-endif()
+## Optional Dependencies ##
+cmaize_find_optional_dependency(
+    RocksDB
+    BUILD_ROCKSDB
+    URL github.com/facebook/rocksdb
+    FIND_TARGET RocksDB::rocksdb-shared
+)
 
+set(pluginplay_depends utilities parallelzone libfort Boost::boost RocksDB)
+
+# As of 1.0.0 CMaize does not support multiple build or find targets. This will
+# be fixed in a future feature release. For now we handle the
 if("${BUILD_PYBIND11_PYBINDINGS}")
     cmaize_find_or_build_dependency(
         pybind11
@@ -118,6 +111,9 @@ cmaize_add_library(
     INCLUDE_DIRS "${project_inc_dir}"
     DEPENDS "${pluginplay_depends}"
 )
+
+# TODO: Update source to use BUILD_PYBIND11_PYBINDINGS, then goes away when
+# CMaize supports mulitple targets
 if("${BUILD_PYBIND11_PYBINDINGS}")
     target_compile_definitions("${PROJECT_NAME}" PUBLIC BUILD_PYBIND11)
 endif()
@@ -129,37 +125,27 @@ nwx_add_pybind11_module(
     DEPENDS "${PROJECT_NAME}"
 )
 
-include(nwx_python_mods)
-cppyy_make_python_package(
-    PACKAGE pluginplay
-    NAMESPACES pluginplay
-    DEPPACKAGES parallelzone
-)
-
 if("${BUILD_TESTING}")
     set(cxx_test_dir "${CMAKE_CURRENT_LIST_DIR}/tests/cxx")
-    set(python_test_dir "${CMAKE_CURRENT_LIST_DIR}/tests/python")
     set(tests_src_dir "${cxx_test_dir}/unit_tests/${PROJECT_NAME}")
     set(examples_src_dir "${cxx_test_dir}/doc_snippets")
 
+    ### C++ Testing ###
     cmaize_find_or_build_dependency(
         Catch2
         URL github.com/catchorg/Catch2
         BUILD_TARGET Catch2
         FIND_TARGET Catch2::Catch2
         VERSION ${NWX_CATCH2_VERSION}
     )
+
     cmaize_add_library(
         ${PROJECT_NAME}_examples
         SOURCE_DIR ${examples_src_dir}
         INCLUDE_DIRS ${examples_src_dir}
         DEPENDS Catch2::Catch2 ${PROJECT_NAME}
     )
-    cppyy_make_python_package(
-        PACKAGE ${PROJECT_NAME}_examples
-        NAMESPACES pluginplay_examples
-        DEPPACKAGES pluginplay
-    )
+
     cmaize_add_tests(
         test_unit_${PROJECT_NAME}
         SOURCE_DIR ${tests_src_dir}
@@ -179,29 +165,37 @@ if("${BUILD_TESTING}")
         DEPENDS Catch2::Catch2 ${PROJECT_NAME}
     )
 
+    ### Python Tests ###
+    set(python_test_dir "${CMAKE_CURRENT_LIST_DIR}/tests/python")
+    cmaize_find_or_build_dependency(
+        tox
+        PACKAGE_MANAGER pip
+    )
+
     # In the python tests we will pass Python into PluginPlay, we will then
     # need to know that C++ can handle those Python types. To this end we
     # create a series of Python bindings for unit testing this functionality
     # which live in the py_test_pluginplay library.
     nwx_add_pybind11_module(
         py_test_pluginplay
         INSTALL OFF
-        SOURCE_DIR "${CMAKE_CURRENT_LIST_DIR}/tests/python/unit_tests"
+        SOURCE_DIR "${python_test_dir}/unit_tests"
         INCLUDE_DIRS "${project_inc_dir}"
-        DEPENDS ${PROJECT_NAME}
+        DEPENDS ${PROJECT_NAME} tox
     )
-    nwx_pybind11_tests(
-        py_pluginplay ${python_test_dir}/unit_tests/test_pluginplay.py
+    nwx_tox_test(
+        py_pluginplay ${python_test_dir}/unit_tests
         SUBMODULES parallelzone
     )
     nwx_add_pybind11_module(
         py_${PROJECT_NAME}_examples
         INSTALL OFF
         SOURCE_DIR "${python_test_dir}/doc_snippets"
-        DEPENDS parallelzone ${PROJECT_NAME} ${PROJECT_NAME}_examples 
+        DEPENDS parallelzone ${PROJECT_NAME} ${PROJECT_NAME}_examples
     )
     nwx_pybind11_tests(
-        py_${PROJECT_NAME}_docs "${python_test_dir}/doc_snippets/test_doc_snippets.py"
+        py_${PROJECT_NAME}_docs
+        "${python_test_dir}/doc_snippets/test_doc_snippets.py"
         SUBMODULES parallelzone
     )
 endif()

diff --git a/cmake/get_nwx_cmake.cmake b/cmake/get_nwx_cmake.cmake
@@ -0,0 +1,31 @@
+# Copyright 2022 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+include_guard()
+
+macro(get_nwx_cmake)
+    include(FetchContent)
+    FetchContent_Declare(
+        nwx_cmake
+        GIT_REPOSITORY https://github.com/NWChemEx/NWXCMake
+    )
+    FetchContent_MakeAvailable(nwx_cmake)
+    set(
+        CMAKE_MODULE_PATH "${CMAKE_MODULE_PATH}" "${nwx_cmake_SOURCE_DIR}/cmake"
+        CACHE STRING ""
+        FORCE
+    )
+endmacro()
+
+get_nwx_cmake()
diff --git a/tests/python/unit_tests/tox.ini b/tests/python/unit_tests/tox.ini
@@ -0,0 +1,23 @@
+; Copyright 2023 NWChemEx-Project
+;
+; Licensed under the Apache License, Version 2.0 (the "License");
+; you may not use this file except in compliance with the License.
+; You may obtain a copy of the License at
+;
+; http://www.apache.org/licenses/LICENSE-2.0
+;
+; Unless required by applicable law or agreed to in writing, software
+; distributed under the License is distributed on an "AS IS" BASIS,
+; WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+; See the License for the specific language governing permissions and
+; limitations under the License.
+
+[tox]
+envlist = 
+skipsdist = True
+
+[testenv]
+deps =
+passenv = *
+commands =
+    python test_pluginplay.py