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nomad-lab
cpp_sisso
Commits
0a99e15f
Commit
0a99e15f
authored
Sep 20, 2021
by
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
Changes
70
Pipelines
1
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.gitlab-ci.yml
View file @
0a99e15f
...
@@ -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_COMPILE
R
=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_COMPILE
R
=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_COMPILE
R
=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_COMPILE
R
=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_COMPILE
R
=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_COMPILE
R
=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_COMPILE
R
=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_COMPILE
R
=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_COMPILE
R
=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_COMPILE
R
=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
...
...
CMakeLists.txt
View file @
0a99e15f
...
@@ -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_d
ependencies
(
external_Clp external_CoinUtils
)
ExternalProject_Add_StepD
ependencies
(
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
()
cmake/CoinUtils/coin_utils_make_install.sh
View file @
0a99e15f
#! /usr/bin/bash
#! /usr/bin/bash
if
[
!
-f
$1
]
;
then
make
install
;
fi
if
[
!
-f
$1
]
||
[
!
-d
$2
]
;
then
make
install
;
fi
cmake/coin-Clp/clp_make_install.sh
View file @
0a99e15f
#! /usr/bin/bash
#! /usr/bin/bash
if
[
!
-f
$1
]
;
then
make
install
;
fi
if
[
!
-f
$1
]
||
[
!
-d
$2
]
;
then
make
install
;
fi
codemeta.json
0 → 100644
View file @
0a99e15f
{
"@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"
}
docs/cpp_api/FeatureCreation.rst
View file @
0a99e15f
...
@@ -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::
...
...
docs/cpp_api/node.rst
View file @
0a99e15f
...
@@ -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++