Commit 0a99e15f authored by Thomas Purcell's avatar Thomas Purcell
Browse files

Merge branch 'joss' into 'master'

JOSS Submission

See merge request tpurcell/cpp_sisso!33
parents 8267333c 7786a5a3
Pipeline #110396 passed with stages
in 58 minutes and 28 seconds
...@@ -16,8 +16,8 @@ build-intel-base: ...@@ -16,8 +16,8 @@ build-intel-base:
- export MKLROOT=/home/runner/intel/oneapi/mkl/latest/ - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
- export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7 - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
- export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
- cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILE=icc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=ON -DBUILD_PARAMS=OFF -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../intel_base/ ../ - cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_FLAGS="-O3" -DEXTERNAL_BUILD_N_PROCS=4 -DBUILD_TESTS=ON -DBUILD_PARAMS=OFF -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../intel_base/ ../
- make - make -j4
- make install - make install
- cd ../ - cd ../
artifacts: artifacts:
...@@ -39,8 +39,8 @@ build-intel-py: ...@@ -39,8 +39,8 @@ build-intel-py:
- export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7 - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
- export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_py/lib/python3.7/site-packages/ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_py/lib/python3.7/site-packages/
- export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
- cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILE=icc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=OFF -DBUILD_PARAMS=OFF -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../intel_py/ ../ - cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_FLAGS="-O3" -DEXTERNAL_BUILD_N_PROCS=4 -DBUILD_TESTS=OFF -DBUILD_PARAMS=OFF -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../intel_py/ ../
- make - make -j4
- make install - make install
- cd ../ - cd ../
artifacts: artifacts:
...@@ -60,8 +60,8 @@ build-intel-param: ...@@ -60,8 +60,8 @@ build-intel-param:
- export MKLROOT=/home/runner/intel/oneapi/mkl/latest/ - export MKLROOT=/home/runner/intel/oneapi/mkl/latest/
- export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7 - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
- export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
- cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILE=icc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../intel_param/ ../ - cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_FLAGS="-O3" -DEXTERNAL_BUILD_N_PROCS=4 -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../intel_param/ ../
- make - make -j4
- make install - make install
- cd ../ - cd ../
artifacts: artifacts:
...@@ -83,8 +83,8 @@ build-intel-param-py: ...@@ -83,8 +83,8 @@ build-intel-param-py:
- export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7 - export LD_LIBRARY_PATH=$I_MPI_ROOT/lib/:$I_MPI_ROOT/lib/release:$MKLROOT/lib/intel64:$INTEL_COMP_ROOT/lib/:$INTEL_COMP_ROOT/compiler/lib/intel64/:$LD_LIBRARY_PATH:$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7
- export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_param_py/lib/python3.7/site-packages/ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_env_intel_param_py/lib/python3.7/site-packages/
- export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH - export PATH=$INTEL_COMP_ROOT/bin/:$INTEL_COMP_ROOT/bin/intel64:$I_MPI_ROOT/bin:$PATH
- cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILE=icc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=OFF -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../intel_param_py/ ../ - cmake -DCMAKE_CXX_COMPILER=icpc -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_FLAGS="-O3" -DEXTERNAL_BUILD_N_PROCS=4 -DBUILD_TESTS=OFF -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../intel_param_py/ ../
- make - make -j4
- make install - make install
- cd ../ - cd ../
artifacts: artifacts:
...@@ -98,6 +98,7 @@ test-intel-pytest-py: ...@@ -98,6 +98,7 @@ test-intel-pytest-py:
stage: unit_test stage: unit_test
dependencies: dependencies:
- build-intel-py - build-intel-py
needs: ["build-intel-py"]
script: script:
- source cpp_sisso_env_intel_py/bin/activate - source cpp_sisso_env_intel_py/bin/activate
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/ - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
...@@ -114,6 +115,7 @@ test-intel-pytest-param-py: ...@@ -114,6 +115,7 @@ test-intel-pytest-param-py:
stage: unit_test stage: unit_test
dependencies: dependencies:
- build-intel-param-py - build-intel-param-py
needs: ["build-intel-param-py"]
script: script:
- source cpp_sisso_env_intel_param_py/bin/activate - source cpp_sisso_env_intel_param_py/bin/activate
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/ - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
...@@ -130,6 +132,7 @@ test-intel-base-googletest: ...@@ -130,6 +132,7 @@ test-intel-base-googletest:
stage: unit_test stage: unit_test
dependencies: dependencies:
- build-intel-base - build-intel-base
needs: ["build-intel-base"]
script: script:
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/ - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
- export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/ - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
...@@ -145,6 +148,7 @@ test-intel-param-googletest: ...@@ -145,6 +148,7 @@ test-intel-param-googletest:
stage: unit_test stage: unit_test
dependencies: dependencies:
- build-intel-param - build-intel-param
needs: ["build-intel-param"]
script: script:
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/ - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
- export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/ - export INTEL_COMP_ROOT=/home/runner/intel/oneapi/compiler/latest/linux/
...@@ -160,6 +164,7 @@ test-intel-bin-param: ...@@ -160,6 +164,7 @@ test-intel-bin-param:
stage: bin_test stage: bin_test
dependencies: dependencies:
- build-intel-param-py - build-intel-param-py
needs: ["build-intel-param-py"]
script: script:
- source cpp_sisso_env_intel_param_py/bin/activate - source cpp_sisso_env_intel_param_py/bin/activate
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/ - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
...@@ -177,6 +182,7 @@ test-intel-bin-base: ...@@ -177,6 +182,7 @@ test-intel-bin-base:
stage: bin_test stage: bin_test
dependencies: dependencies:
- build-intel-py - build-intel-py
needs: ["build-intel-py"]
script: script:
- source cpp_sisso_env_intel_py/bin/activate - source cpp_sisso_env_intel_py/bin/activate
- export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/ - export I_MPI_ROOT=/home/runner/intel/oneapi/mpi/latest/
...@@ -196,8 +202,8 @@ build-gnu-base: ...@@ -196,8 +202,8 @@ build-gnu-base:
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
- mkdir build_gnu_base/ - mkdir build_gnu_base/
- cd build_gnu_base/ - cd build_gnu_base/
- cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=ON -DBUILD_PARAMS=OFF -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../gnu_base/ ../ - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_FLAGS="-O3" -DEXTERNAL_BUILD_N_PROCS=4 -DBUILD_TESTS=ON -DBUILD_PARAMS=OFF -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../gnu_base/ ../
- make - make -j4
- make install - make install
- cd ../ - cd ../
artifacts: artifacts:
...@@ -211,8 +217,8 @@ build-gnu-param: ...@@ -211,8 +217,8 @@ build-gnu-param:
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
- mkdir build_gnu_param/ - mkdir build_gnu_param/
- cd build_gnu_param/ - cd build_gnu_param/
- cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../gnu_param/ ../ - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_FLAGS="-O3" -DEXTERNAL_BUILD_N_PROCS=4 -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=OFF -DCMAKE_INSTALL_PREFIX=../gnu_param/ ../
- make - make -j4
- make install - make install
- cd ../ - cd ../
artifacts: artifacts:
...@@ -229,8 +235,8 @@ build-gnu-py: ...@@ -229,8 +235,8 @@ build-gnu-py:
- export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gnu_py_env/lib/python3.7/site-packages/ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gnu_py_env/lib/python3.7/site-packages/
- mkdir build_py/ - mkdir build_py/
- cd build_py/ - cd build_py/
- cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=OFF -DBUILD_PARAMS=OFF -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../gnu_py/ ../ - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_FLAGS="-O3" -DEXTERNAL_BUILD_N_PROCS=4 -DBUILD_TESTS=OFF -DBUILD_PARAMS=OFF -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../gnu_py/ ../
- make - make -j4
- make install - make install
- cd ../ - cd ../
artifacts: artifacts:
...@@ -248,8 +254,8 @@ build-gnu-param-py: ...@@ -248,8 +254,8 @@ build-gnu-param-py:
- export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gnu_param_py_env/lib/python3.7/site-packages/ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:cpp_sisso_gnu_param_py_env/lib/python3.7/site-packages/
- mkdir build_param_py/ - mkdir build_param_py/
- cd build_param_py/ - cd build_param_py/
- cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_CXX_FLAGS="-O3" -DBUILD_TESTS=OFF -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../gnu_param_py/ ../ - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_FLAGS="-O3" -DEXTERNAL_BUILD_N_PROCS=4 -DBUILD_TESTS=OFF -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../gnu_param_py/ ../
- make - make -j4
- make install - make install
- cd ../ - cd ../
artifacts: artifacts:
...@@ -262,6 +268,7 @@ test-gnu-pytest-py: ...@@ -262,6 +268,7 @@ test-gnu-pytest-py:
stage: unit_test stage: unit_test
dependencies: dependencies:
- build-gnu-py - build-gnu-py
needs: ["build-gnu-py"]
script: script:
- source cpp_sisso_gnu_py_env/bin/activate - source cpp_sisso_gnu_py_env/bin/activate
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
...@@ -274,6 +281,7 @@ test-gnu-pytest-param-py: ...@@ -274,6 +281,7 @@ test-gnu-pytest-param-py:
stage: unit_test stage: unit_test
dependencies: dependencies:
- build-gnu-param-py - build-gnu-param-py
needs: ["build-gnu-param-py"]
script: script:
- source cpp_sisso_gnu_param_py_env/bin/activate - source cpp_sisso_gnu_param_py_env/bin/activate
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
...@@ -286,6 +294,7 @@ test-gnu-base-googletest: ...@@ -286,6 +294,7 @@ test-gnu-base-googletest:
stage: unit_test stage: unit_test
dependencies: dependencies:
- build-gnu-base - build-gnu-base
needs: ["build-gnu-base"]
script: script:
- export OMP_NUM_THREADS=2 - export OMP_NUM_THREADS=2
- export OMP_PLACES=cores - export OMP_PLACES=cores
...@@ -296,6 +305,7 @@ test-gnu-param-googletest: ...@@ -296,6 +305,7 @@ test-gnu-param-googletest:
stage: unit_test stage: unit_test
dependencies: dependencies:
- build-gnu-param - build-gnu-param
needs: ["build-gnu-param"]
script: script:
- export OMP_NUM_THREADS=2 - export OMP_NUM_THREADS=2
- export OMP_PLACES=cores - export OMP_PLACES=cores
...@@ -306,6 +316,7 @@ test-gnu-bin-param: ...@@ -306,6 +316,7 @@ test-gnu-bin-param:
stage: bin_test stage: bin_test
dependencies: dependencies:
- build-gnu-param-py - build-gnu-param-py
needs: ["build-gnu-param-py"]
script: script:
- source cpp_sisso_gnu_param_py_env/bin/activate - source cpp_sisso_gnu_param_py_env/bin/activate
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
...@@ -319,6 +330,7 @@ test-gnu-bin-base: ...@@ -319,6 +330,7 @@ test-gnu-bin-base:
stage: bin_test stage: bin_test
dependencies: dependencies:
- build-gnu-py - build-gnu-py
needs: ["build-gnu-py"]
script: script:
- source cpp_sisso_gnu_py_env/bin/activate - source cpp_sisso_gnu_py_env/bin/activate
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7:$LD_LIBRARY_PATH
...@@ -337,7 +349,7 @@ build-gnu-gcov: ...@@ -337,7 +349,7 @@ build-gnu-gcov:
- export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:`pwd`/cpp_sisso_gnu_gcov_env/lib/python3.7/site-packages/ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:`pwd`/cpp_sisso_gnu_gcov_env/lib/python3.7/site-packages/
- mkdir build_gcov/ - mkdir build_gcov/
- cd build_gcov/ - cd build_gcov/
- cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_BUILD_TYPE="Coverage" -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../gnu_gcov/ ../ - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc -DCMAKE_BUILD_TYPE="Coverage" -DMPIEXEC_EXECUTABLE=/usr/bin/mpiexec -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../gnu_gcov/ ../
- make install - make install
- make coverage - make coverage
- cd ../ - cd ../
...@@ -357,7 +369,7 @@ build-gnu-lcov: ...@@ -357,7 +369,7 @@ build-gnu-lcov:
- export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:`pwd`/cpp_sisso_gnu_lcov_env/lib/python3.7/site-packages/ - export PYTHONPATH=$HOME/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/:`pwd`/cpp_sisso_gnu_lcov_env/lib/python3.7/site-packages/
- mkdir build_lcov/ - mkdir build_lcov/
- cd build_lcov/ - cd build_lcov/
- cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILE=gcc -DCMAKE_BUILD_TYPE="Coverage" -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../gnu_lcov/ ../ - cmake -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc -DCMAKE_BUILD_TYPE="Coverage" -DMPIEXEC_EXECUTABLE=/usr/bin/mpiexec -DBUILD_TESTS=ON -DBUILD_PARAMS=ON -DBUILD_PYTHON=ON -DCMAKE_INSTALL_PREFIX=../gnu_lcov/ ../
- make install - make install
- make coverage_html - make coverage_html
- cd ../ - cd ../
...@@ -372,6 +384,7 @@ pages: ...@@ -372,6 +384,7 @@ pages:
stage: doc_builds stage: doc_builds
dependencies: dependencies:
- build-gnu-lcov - build-gnu-lcov
needs: ["build-gnu-lcov"]
script: script:
- source cpp_sisso_gnu_lcov_env/bin/activate - source cpp_sisso_gnu_lcov_env/bin/activate
- export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7/:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH=$HOME/intel/oneapi/intelpython/latest/lib/:$HOME/intel/oneapi/intelpython/latest/lib/python3.7/:$LD_LIBRARY_PATH
......
...@@ -30,6 +30,10 @@ option(BUILD_PYTHON "Whether to compile with python binding support" ON) ...@@ -30,6 +30,10 @@ option(BUILD_PYTHON "Whether to compile with python binding support" ON)
option(BUILD_PARAMS "If true use non-linear parameterization" OFF) option(BUILD_PARAMS "If true use non-linear parameterization" OFF)
option(BUILD_TESTS "Whether to compile with python binding support" OFF) option(BUILD_TESTS "Whether to compile with python binding support" OFF)
if(NOT ${EXTERNAL_BUILD_N_PROCS})
set(EXTERNAL_BUILD_N_PROCS "1")
endif()
if(BUILD_PARAMS) if(BUILD_PARAMS)
message(STATUS "BUILD_PARAMS True") message(STATUS "BUILD_PARAMS True")
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DPARAMETERIZE") set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DPARAMETERIZE")
...@@ -59,14 +63,15 @@ if(EXTERNAL_BOOST) ...@@ -59,14 +63,15 @@ if(EXTERNAL_BOOST)
message(STATUS "Using external boost") message(STATUS "Using external boost")
set(EXTERNAL_BOOST TRUE) set(EXTERNAL_BOOST TRUE)
else(EXTERNAL_BOOST) else(EXTERNAL_BOOST)
if(NOT DEFINED BOOST_BUILD_N_PROCS) message(STATUS "Building boost wth ${EXTERNAL_BUILD_N_PROCS} process(es)")
set(BOOST_BUILD_N_PROCS 1 CACHE STRING "Number of processes to use when building Boost")
endif()
message(STATUS "Building boost wth ${BOOST_BUILD_N_PROCS} process(es)")
include( ExternalProject ) include( ExternalProject )
set(EXTERNAL_BOOST FALSE) set(EXTERNAL_BOOST FALSE)
endif() endif()
if(NOT DEFINED EXTERNAL_BUILD_N_PROCS)
set(EXTERNAL_BUILD_N_PROCS 1 CACHE STRING "Number of processes to use when building Boost")
endif()
# Check for FindOpenMP # Check for FindOpenMP
find_package(OpenMP REQUIRED) find_package(OpenMP REQUIRED)
if (OPENMP_FOUND) if (OPENMP_FOUND)
...@@ -134,6 +139,19 @@ if(BUILD_PYTHON) ...@@ -134,6 +139,19 @@ if(BUILD_PYTHON)
OUTPUT_STRIP_TRAILING_WHITESPACE OUTPUT_STRIP_TRAILING_WHITESPACE
) )
execute_process(
COMMAND ${PYTHON_EXECUTABLE}
-c "import numpy; print(numpy.__version__)"
OUTPUT_VARIABLE NUMPY_VERSION
OUTPUT_STRIP_TRAILING_WHITESPACE
)
string(LENGTH "${NUMPY_VERSION}" NPV_LEN)
if(NPV_LEN EQUAL "0")
message(FATAL_ERROR "numpy must be installed")
else()
message(STATUS "numpy version ${NUMPY_VERSION} ${NPV_LEN} found")
endif()
message(STATUS "PYTHON_LIBDIR = ${PYTHON_LIBDIR}") message(STATUS "PYTHON_LIBDIR = ${PYTHON_LIBDIR}")
message(STATUS "PYTHON_INSTDIR = ${PYTHON_INSTDIR}") message(STATUS "PYTHON_INSTDIR = ${PYTHON_INSTDIR}")
...@@ -263,8 +281,8 @@ else(EXTERNAL_BOOST) ...@@ -263,8 +281,8 @@ else(EXTERNAL_BOOST)
BUILD_IN_SOURCE 1 BUILD_IN_SOURCE 1
CONFIGURE_COMMAND ${Boost_CONFIGURE_COMMAND} CONFIGURE_COMMAND ${Boost_CONFIGURE_COMMAND}
BUILD_COMMAND BUILD_COMMAND
./b2 -j ${BOOST_BUILD_N_PROCS} ./b2 -j ${EXTERNAL_BUILD_N_PROCS}
INSTALL_COMMAND ./b2 -j ${BOOST_BUILD_N_PROCS} install INSTALL_COMMAND ./b2 -j ${EXTERNAL_BUILD_N_PROCS} install
INSTALL_DIR ${Boost_INSTALL_DIR} INSTALL_DIR ${Boost_INSTALL_DIR}
) )
...@@ -272,42 +290,11 @@ else(EXTERNAL_BOOST) ...@@ -272,42 +290,11 @@ else(EXTERNAL_BOOST)
set( Boost_LIBRARY_SUFFIX .so ) set( Boost_LIBRARY_SUFFIX .so )
set( Boost_LIBRARY_PREFIX lib ) set( Boost_LIBRARY_PREFIX lib )
add_library( boost::mpi SHARED IMPORTED )
set_property( TARGET boost::mpi PROPERTY IMPORTED_LOCATION ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_mpi${Boost_LIBRARY_SUFFIX} )
set_property( TARGET boost::mpi PROPERTY INTERFACE_INCLUDE_DIRECTORIES ${Boost_INCLUDE_DIRS} )
add_dependencies(boost::mpi external_boost)
add_library( boost::serialization SHARED IMPORTED )
set_property( TARGET boost::serialization PROPERTY IMPORTED_LOCATION ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_serialization${Boost_LIBRARY_SUFFIX} )
set_property( TARGET boost::serialization PROPERTY INTERFACE_INCLUDE_DIRECTORIES ${Boost_INCLUDE_DIRS} )
add_dependencies(boost::serialization external_boost)
add_library( boost::system SHARED IMPORTED )
set_property( TARGET boost::system PROPERTY IMPORTED_LOCATION ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_system${Boost_LIBRARY_SUFFIX} )
set_property( TARGET boost::system PROPERTY INTERFACE_INCLUDE_DIRECTORIES ${Boost_INCLUDE_DIRS} )
add_dependencies(boost::system external_boost)
add_library( boost::filesystem SHARED IMPORTED )
set_property( TARGET boost::filesystem PROPERTY IMPORTED_LOCATION ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_filesystem${Boost_LIBRARY_SUFFIX} )
set_property( TARGET boost::filesystem PROPERTY INTERFACE_LINK_LIBRARIES boost::system )
set_property( TARGET boost::filesystem PROPERTY INTERFACE_INCLUDE_DIRECTORIES ${Boost_INCLUDE_DIRS} )
add_dependencies(boost::filesystem external_boost)
set(Boost_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_mpi${Boost_LIBRARY_SUFFIX}) set(Boost_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_mpi${Boost_LIBRARY_SUFFIX})
list(APPEND Boost_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_serialization${Boost_LIBRARY_SUFFIX}) list(APPEND Boost_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_serialization${Boost_LIBRARY_SUFFIX})
list(APPEND Boost_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_system${Boost_LIBRARY_SUFFIX}) list(APPEND Boost_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_system${Boost_LIBRARY_SUFFIX})
list(APPEND Boost_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_filesystem${Boost_LIBRARY_SUFFIX}) list(APPEND Boost_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_filesystem${Boost_LIBRARY_SUFFIX})
if(BUILD_PYTHON) if(BUILD_PYTHON)
add_library( boost::python${BOOST_PYTHON_VERSION} SHARED IMPORTED )
set_property( TARGET boost::python${BOOST_PYTHON_VERSION} PROPERTY IMPORTED_LOCATION ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_python${BOOST_PYTHON_VERSION}${Boost_LIBRARY_SUFFIX} )
set_property( TARGET boost::python${BOOST_PYTHON_VERSION} PROPERTY INTERFACE_INCLUDE_DIRECTORIES ${Boost_INCLUDE_DIRS} )
add_dependencies(boost::python${BOOST_PYTHON_VERSION} external_boost)
add_library( boost::numpy${BOOST_PYTHON_VERSION} SHARED IMPORTED )
set_property( TARGET boost::numpy${BOOST_PYTHON_VERSION} PROPERTY IMPORTED_LOCATION ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_numpy${BOOST_PYTHON_VERSION}${Boost_LIBRARY_SUFFIX} )
set_property( TARGET boost::numpy${BOOST_PYTHON_VERSION} PROPERTY INTERFACE_LINK_LIBRARIES boost::system )
set_property( TARGET boost::numpy${BOOST_PYTHON_VERSION} PROPERTY INTERFACE_INCLUDE_DIRECTORIES ${Boost_INCLUDE_DIRS} )
add_dependencies(boost::numpy${BOOST_PYTHON_VERSION} external_boost)
set(Boost_PYTHON_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_python${BOOST_PYTHON_VERSION}${Boost_LIBRARY_SUFFIX}) set(Boost_PYTHON_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_python${BOOST_PYTHON_VERSION}${Boost_LIBRARY_SUFFIX})
list(APPEND Boost_PYTHON_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_numpy${BOOST_PYTHON_VERSION}${Boost_LIBRARY_SUFFIX}) list(APPEND Boost_PYTHON_LIBRARIES ${Boost_LIBRARY_DIRS}/${Boost_LIBRARY_PREFIX}boost_numpy${BOOST_PYTHON_VERSION}${Boost_LIBRARY_SUFFIX})
endif() endif()
...@@ -390,8 +377,8 @@ message(STATUS "COIN_CLP_BLAS_LAPACK_LIBS = ${COIN_CLP_BLAS_LAPACK_LIBS}") ...@@ -390,8 +377,8 @@ message(STATUS "COIN_CLP_BLAS_LAPACK_LIBS = ${COIN_CLP_BLAS_LAPACK_LIBS}")
set(COIN_CLP_CONFIGURE_COMMAND bash ${CMAKE_CURRENT_LIST_DIR}/cmake/coin-Clp/clp_configure.sh ${COIN_CLP_INSTALL_DIR} ${COIN_CLP_BLAS_LAPACK_LIBS} ${COIN_CLP_CXX} ${COIN_CLP_LIBRARY_DIRS} "${COIN_UTILS_LIBRARY_DIRS}/libCoinUtils.so" ${COIN_UTILS_INCLUDE_DIRS}) set(COIN_CLP_CONFIGURE_COMMAND bash ${CMAKE_CURRENT_LIST_DIR}/cmake/coin-Clp/clp_configure.sh ${COIN_CLP_INSTALL_DIR} ${COIN_CLP_BLAS_LAPACK_LIBS} ${COIN_CLP_CXX} ${COIN_CLP_LIBRARY_DIRS} "${COIN_UTILS_LIBRARY_DIRS}/libCoinUtils.so" ${COIN_UTILS_INCLUDE_DIRS})
set(COIN_UTILS_CONFIGURE_COMMAND bash ${CMAKE_CURRENT_LIST_DIR}/cmake/CoinUtils/coin_utils_configure.sh ${COIN_UTILS_INSTALL_DIR} ${COIN_CLP_BLAS_LAPACK_LIBS} ${COIN_CLP_CXX} ${COIN_CLP_LIBRARY_DIRS}) set(COIN_UTILS_CONFIGURE_COMMAND bash ${CMAKE_CURRENT_LIST_DIR}/cmake/CoinUtils/coin_utils_configure.sh ${COIN_UTILS_INSTALL_DIR} ${COIN_CLP_BLAS_LAPACK_LIBS} ${COIN_CLP_CXX} ${COIN_CLP_LIBRARY_DIRS})
set(COIN_UTILS_MAKE_INSTALL_COMMAND bash ${CMAKE_CURRENT_LIST_DIR}/cmake/CoinUtils/coin_utils_make_install.sh ${COIN_UTILS_LIBRARY_DIRS}/libCoinUtils.so) set(COIN_UTILS_MAKE_INSTALL_COMMAND bash ${CMAKE_CURRENT_LIST_DIR}/cmake/CoinUtils/coin_utils_make_install.sh ${COIN_UTILS_LIBRARY_DIRS}/libCoinUtils.so ${COIN_UTILS_INCLUDE_DIRS})
set(COIN_CLP_MAKE_INSTALL_COMMAND bash ${CMAKE_CURRENT_LIST_DIR}/cmake/coin-Clp/clp_make_install.sh ${COIN_CLP_LIBRARY_DIRS}/libClp.so) set(COIN_CLP_MAKE_INSTALL_COMMAND bash ${CMAKE_CURRENT_LIST_DIR}/cmake/coin-Clp/clp_make_install.sh ${COIN_CLP_LIBRARY_DIRS}/libClp.so ${COIN_CLP_INCLUDE_DIRS})
ExternalProject_Add( ExternalProject_Add(
external_CoinUtils external_CoinUtils
...@@ -399,7 +386,7 @@ ExternalProject_Add( ...@@ -399,7 +386,7 @@ ExternalProject_Add(
GIT_REPOSITORY "https://github.com/coin-or/CoinUtils.git" GIT_REPOSITORY "https://github.com/coin-or/CoinUtils.git"
GIT_TAG "releases/2.11.4" GIT_TAG "releases/2.11.4"
CONFIGURE_COMMAND "${COIN_UTILS_CONFIGURE_COMMAND}" CONFIGURE_COMMAND "${COIN_UTILS_CONFIGURE_COMMAND}"
BUILD_COMMAND make -j ${BOOST_BUILD_N_PROCS} BUILD_COMMAND make -j ${EXTERNAL_BUILD_N_PROCS}
INSTALL_COMMAND "${COIN_UTILS_MAKE_INSTALL_COMMAND}" INSTALL_COMMAND "${COIN_UTILS_MAKE_INSTALL_COMMAND}"
BINARY_DIR "${COIN_UTILS_BUILD_DIR}" BINARY_DIR "${COIN_UTILS_BUILD_DIR}"
INSTALL_DIR "${COIN_UTILS_INSTALL_DIR}" INSTALL_DIR "${COIN_UTILS_INSTALL_DIR}"
...@@ -411,12 +398,12 @@ ExternalProject_Add( ...@@ -411,12 +398,12 @@ ExternalProject_Add(
GIT_REPOSITORY "https://github.com/coin-or/Clp.git" GIT_REPOSITORY "https://github.com/coin-or/Clp.git"
GIT_TAG "releases/1.17.6" GIT_TAG "releases/1.17.6"
CONFIGURE_COMMAND "${COIN_CLP_CONFIGURE_COMMAND}" CONFIGURE_COMMAND "${COIN_CLP_CONFIGURE_COMMAND}"
BUILD_COMMAND make -j ${BOOST_BUILD_N_PROCS} BUILD_COMMAND make -j ${EXTERNAL_BUILD_N_PROCS}
INSTALL_COMMAND ${COIN_CLP_MAKE_INSTALL_COMMAND} INSTALL_COMMAND ${COIN_CLP_MAKE_INSTALL_COMMAND}
BINARY_DIR "${COIN_CLP_BUILD_DIR}" BINARY_DIR "${COIN_CLP_BUILD_DIR}"
INSTALL_DIR "${COIN_CLP_INSTALL_DIR}" INSTALL_DIR "${COIN_CLP_INSTALL_DIR}"
) )
add_dependencies(external_Clp external_CoinUtils) ExternalProject_Add_StepDependencies(external_Clp build external_CoinUtils)
set(COIN_CLP_LIBRARIES "${COIN_CLP_LIBRARY_DIRS}/libClp.so;${COIN_CLP_LIBRARY_DIRS}/libCoinUtils.so") set(COIN_CLP_LIBRARIES "${COIN_CLP_LIBRARY_DIRS}/libClp.so;${COIN_CLP_LIBRARY_DIRS}/libCoinUtils.so")
include_directories(${COIN_CLP_INCLUDE_DIRS}) include_directories(${COIN_CLP_INCLUDE_DIRS})
...@@ -524,16 +511,22 @@ if (CMAKE_BUILD_TYPE STREQUAL "Coverage") ...@@ -524,16 +511,22 @@ if (CMAKE_BUILD_TYPE STREQUAL "Coverage")
EXECUTABLE make test EXECUTABLE make test
DEPENDENCIES ${COV_DEPS} DEPENDENCIES ${COV_DEPS}
BASE_DIRECTORY "${CMAKE_SOURCE_DIR}/" BASE_DIRECTORY "${CMAKE_SOURCE_DIR}/"
EXCLUDE "${CMAKE_BINARY_DIR}/" "src/external/*" "src/mpi_interface/*" "/usr/*" "${PYTHON_INCLUDE_PATH}/*" "${MPI_CXX_INCLUDE_DIRS}/*" "src/utils/mkl_*" "tests/*" EXCLUDE "${CMAKE_BINARY_DIR}/" "src/external/*" "/usr/*" "${PYTHON_INCLUDE_PATH}/*" "${MPI_CXX_INCLUDE_DIRS}/*" "src/utils/mkl_*" "tests/*"
) )
setup_target_for_coverage_gcovr_html( setup_target_for_coverage_gcovr_html(
NAME "coverage-gcov-html" NAME "coverage-gcov-html"
EXECUTABLE make test EXECUTABLE make test
DEPENDENCIES ${COV_DEPS} DEPENDENCIES ${COV_DEPS}
BASE_DIRECTORY "${CMAKE_SOURCE_DIR}/" BASE_DIRECTORY "${CMAKE_SOURCE_DIR}/"
EXCLUDE "${CMAKE_BINARY_DIR}/" "src/external/*" "src/mpi_interface/*" "/usr/*" "${PYTHON_INCLUDE_PATH}/*" "${MPI_CXX_INCLUDE_DIRS}/*" "src/utils/mkl_*" "tests/*" EXCLUDE "${CMAKE_BINARY_DIR}/" "src/external/*" "/usr/*" "${PYTHON_INCLUDE_PATH}/*" "${MPI_CXX_INCLUDE_DIRS}/*" "src/utils/mkl_*" "tests/*"
) )
else() else()
message(STATUS "Unable to build coverage target for the current compiler ${CMAKE_CXX_COMPILER_ID}") message(STATUS "Unable to build coverage target for the current compiler ${CMAKE_CXX_COMPILER_ID}")
endif() endif()
endif() #CMAKE_BUILD_TYPE STREQUAL "Coverage" endif() #CMAKE_BUILD_TYPE STREQUAL "Coverage"
if(${CMAKE_VERSION} VERSION_LESS "3.15")
set_property(DIRECTORY APPEND PROPERTY ADDITIONAL_MAKE_CLEAN_FILES "${CMAKE_INSTALL_PREFIX}/bin/" "${CMAKE_INSTALL_PREFIX}/lib/" "${CMAKE_INSTALL_PREFIX}/tests/" "${NLOPT_INSTALL_DIR}" "${COIN_UTILS_INSTALL_DIR}" "${COIN_CLP_INSTALL_DIR}" "${GTEST_INSTALL_DIR}" "${FMT_INSTALL_DIR}")
else()
set_property(DIRECTORY APPEND PROPERTY ADDITIONAL_CLEAN_FILES "${CMAKE_INSTALL_PREFIX}/bin/" "${CMAKE_INSTALL_PREFIX}/lib/" "${CMAKE_INSTALL_PREFIX}/tests/" "${NLOPT_INSTALL_DIR}" "${COIN_UTILS_INSTALL_DIR}" "${COIN_CLP_INSTALL_DIR}" "${GTEST_INSTALL_DIR}" "${FMT_INSTALL_DIR}")
endif()
#! /usr/bin/bash #! /usr/bin/bash
if [ ! -f $1 ]; then make install; fi if [ ! -f $1 ] || [ ! -d $2 ]; then make install; fi
#! /usr/bin/bash #! /usr/bin/bash
if [ ! -f $1 ]; then make install; fi if [ ! -f $1 ] || [ ! -d $2 ]; then make install; fi
{
"@context": "https://raw.githubusercontent.com/codemeta/codemeta/master/codemeta.jsonld",
"@type": "Code",
"author": [
{
"@id": "http://orcid.org/0000-0003-4564-7206",
"@type": "Person",
"email": "purcell@fhi-berlin.mpg.de",
"name": "Thomas A. R. Purcell",
"affiliation": "Fritz-Haber-Institute"
},
{
"@id": "http://orcid.org/0000-0001-5099-3029",
"@type": "Person",
"email": "luca@fhi-berlin.mpg.de",
"name": "Luca M. Ghiringhelli",
"affiliation": "Fritz-Haber-Institute"
},
{
"@id": "http://orcid.org/0000-0003-0635-8364",
"@type": "Person",
"email": "christian.carbogno@fhi-berlin.mpg.de",
"name": "Christian Carbogno",
"affiliation": "Fritz-Haber-Institute"
},
{
"@type": "Person",
"email": "scheffler@fhi-berlin.mpg.de",
"name": "Matthias Scheffler",
"affiliation": "Fritz-Haber-Institute"
}
],
"identifier": "",
"codeRepository": "https://gitlab.com/sissopp_developers/sissopp",
"datePublished": "2021-09-02",
"dateModified": "2021-09-02",
"dateCreated": "2021-09-02",
"description": "A C++ implementation of SISSO with python bindings",
"keywords": "SISSO, Symbolic Regression, C++, python",
"license": "Apache 2.0",
"title": "SISSO++",
"version": "v1.0.0"
}
...@@ -13,6 +13,13 @@ Features ...@@ -13,6 +13,13 @@ Features
node node
node_utils node_utils
Non-Linearly Optimized Features
-------------------------------
.. toctree::
:maxdepth: 3
param_node
Feature Space Feature Space
------------- -------------
.. toctree:: .. toctree::
......
...@@ -110,89 +110,3 @@ AbsNode ...@@ -110,89 +110,3 @@ AbsNode
------- -------
.. doxygenfile:: absolute_value.hpp .. doxygenfile:: absolute_value.hpp
:project: SISSO++ :project: SISSO++
AddParamNode
------------
.. doxygenfile:: parameterized_add.hpp
:project: SISSO++
SubParamNode
------------
.. doxygenfile:: parameterized_subtract.hpp
:project: SISSO++
AbsDiffParamNode
----------------
.. doxygenfile:: parameterized_absolute_difference.hpp
:project: SISSO++