diff --git a/src/grid/LICENSE b/src/grid/LICENSE new file mode 100644 index 0000000000..cfbe25b4fb --- /dev/null +++ b/src/grid/LICENSE @@ -0,0 +1,29 @@ +BSD 3-Clause License + +Copyright (c) 2021, CP2K developers group +All rights reserved. + +Redistribution and use in source and binary forms, with or without +modification, are permitted provided that the following conditions are met: + +1. Redistributions of source code must retain the above copyright notice, this + list of conditions and the following disclaimer. + +2. Redistributions in binary form must reproduce the above copyright notice, + this list of conditions and the following disclaimer in the documentation + and/or other materials provided with the distribution. + +3. Neither the name of the copyright holder nor the names of its + contributors may be used to endorse or promote products derived from + this software without specific prior written permission. + +THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" +AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE +IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE +DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE +FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL +DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR +SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER +CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, +OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE +OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. diff --git a/src/grid/common/grid_basis_set.c b/src/grid/common/grid_basis_set.c index 2ce7dfdd22..6db3a8480a 100644 --- a/src/grid/common/grid_basis_set.c +++ b/src/grid/common/grid_basis_set.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/common/grid_basis_set.h b/src/grid/common/grid_basis_set.h index ee2083bcdb..2d9aec1ab4 100644 --- a/src/grid/common/grid_basis_set.h +++ b/src/grid/common/grid_basis_set.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_BASIS_SET_H #define GRID_BASIS_SET_H diff --git a/src/grid/common/grid_common.h b/src/grid/common/grid_common.h index 6186b31082..e2e4f0a684 100644 --- a/src/grid/common/grid_common.h +++ b/src/grid/common/grid_common.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_COMMON_H #define GRID_COMMON_H diff --git a/src/grid/common/grid_constants.h b/src/grid/common/grid_constants.h index 1f6da98c12..a0bdadbfe0 100644 --- a/src/grid/common/grid_constants.h +++ b/src/grid/common/grid_constants.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_CONSTANTS_H #define GRID_CONSTANTS_H diff --git a/src/grid/common/grid_library.c b/src/grid/common/grid_library.c index c0ae19e7ee..5b93ad662b 100644 --- a/src/grid/common/grid_library.c +++ b/src/grid/common/grid_library.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/common/grid_library.h b/src/grid/common/grid_library.h index 67f7e96ab9..727d04b7c9 100644 --- a/src/grid/common/grid_library.h +++ b/src/grid/common/grid_library.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_LIBRARY_H #define GRID_LIBRARY_H diff --git a/src/grid/common/grid_prepare_pab.h b/src/grid/common/grid_prepare_pab.h index 73ff68d394..3aa29bfe7b 100644 --- a/src/grid/common/grid_prepare_pab.h +++ b/src/grid/common/grid_prepare_pab.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include "../common/grid_common.h" diff --git a/src/grid/common/grid_process_vab.h b/src/grid/common/grid_process_vab.h index a5151f754e..2cb094b81c 100644 --- a/src/grid/common/grid_process_vab.h +++ b/src/grid/common/grid_process_vab.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/common/grid_sphere_cache.c b/src/grid/common/grid_sphere_cache.c index 44850e5285..c3e0b25d0b 100644 --- a/src/grid/common/grid_sphere_cache.c +++ b/src/grid/common/grid_sphere_cache.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include "grid_sphere_cache.h" diff --git a/src/grid/common/grid_sphere_cache.h b/src/grid/common/grid_sphere_cache.h index 3b38e61379..248ba98a7f 100644 --- a/src/grid/common/grid_sphere_cache.h +++ b/src/grid/common/grid_sphere_cache.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_SPHERE_CACHE_H diff --git a/src/grid/cpu/coefficients.c b/src/grid/cpu/coefficients.c index c02c809789..7ce147d532 100644 --- a/src/grid/cpu/coefficients.c +++ b/src/grid/cpu/coefficients.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/cpu/coefficients.h b/src/grid/cpu/coefficients.h index 7549d2fac6..67ed9381ae 100644 --- a/src/grid/cpu/coefficients.h +++ b/src/grid/cpu/coefficients.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef COEFFICIENTS_H diff --git a/src/grid/cpu/collocation_integration.c b/src/grid/cpu/collocation_integration.c index 23be29db6c..55491fb32f 100644 --- a/src/grid/cpu/collocation_integration.c +++ b/src/grid/cpu/collocation_integration.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/cpu/collocation_integration.h b/src/grid/cpu/collocation_integration.h index cb16bed8a7..c82f7d3a3d 100644 --- a/src/grid/cpu/collocation_integration.h +++ b/src/grid/cpu/collocation_integration.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef COLLOCATION_INTEGRATION_H diff --git a/src/grid/cpu/cpu_private_header.h b/src/grid/cpu/cpu_private_header.h index 69b2fca759..74d2b631b1 100644 --- a/src/grid/cpu/cpu_private_header.h +++ b/src/grid/cpu/cpu_private_header.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef CPU_PRIVATE_HEADER_H diff --git a/src/grid/cpu/grid_collocate_dgemm.c b/src/grid/cpu/grid_collocate_dgemm.c index dd6fa746d2..d73f88c968 100644 --- a/src/grid/cpu/grid_collocate_dgemm.c +++ b/src/grid/cpu/grid_collocate_dgemm.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/cpu/grid_collocate_dgemm.h b/src/grid/cpu/grid_collocate_dgemm.h index 25bb43f553..8a86de96ca 100644 --- a/src/grid/cpu/grid_collocate_dgemm.h +++ b/src/grid/cpu/grid_collocate_dgemm.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_COLLOCATE_DGEMM_H diff --git a/src/grid/cpu/grid_context_cpu.c b/src/grid/cpu/grid_context_cpu.c index 184d9e9d13..a228ae3133 100644 --- a/src/grid/cpu/grid_context_cpu.c +++ b/src/grid/cpu/grid_context_cpu.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/cpu/grid_context_cpu.h b/src/grid/cpu/grid_context_cpu.h index 7ae5fc6def..6d01ffcbf7 100644 --- a/src/grid/cpu/grid_context_cpu.h +++ b/src/grid/cpu/grid_context_cpu.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_CONTEXT_CPU_H diff --git a/src/grid/cpu/grid_cpu_task_list.h b/src/grid/cpu/grid_cpu_task_list.h index 6c21df8564..febdc03a1c 100644 --- a/src/grid/cpu/grid_cpu_task_list.h +++ b/src/grid/cpu/grid_cpu_task_list.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_CPU_TASK_LIST_H #define GRID_CPU_TASK_LIST_H diff --git a/src/grid/cpu/grid_integrate_dgemm.c b/src/grid/cpu/grid_integrate_dgemm.c index 191d3cb3b9..47ef6ef206 100644 --- a/src/grid/cpu/grid_integrate_dgemm.c +++ b/src/grid/cpu/grid_integrate_dgemm.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/cpu/grid_prepare_pab_dgemm.c b/src/grid/cpu/grid_prepare_pab_dgemm.c index 1522fbf2af..ce164a925d 100644 --- a/src/grid/cpu/grid_prepare_pab_dgemm.c +++ b/src/grid/cpu/grid_prepare_pab_dgemm.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include "grid_prepare_pab_dgemm.h" diff --git a/src/grid/cpu/grid_prepare_pab_dgemm.h b/src/grid/cpu/grid_prepare_pab_dgemm.h index 7a527d00a2..78eb80a49a 100644 --- a/src/grid/cpu/grid_prepare_pab_dgemm.h +++ b/src/grid/cpu/grid_prepare_pab_dgemm.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_PREPARE_PAB_DGEMM_H diff --git a/src/grid/cpu/non_orthorombic_corrections.c b/src/grid/cpu/non_orthorombic_corrections.c index a0f27c8da7..c7f3273f9b 100644 --- a/src/grid/cpu/non_orthorombic_corrections.c +++ b/src/grid/cpu/non_orthorombic_corrections.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include "non_orthorombic_corrections.h" diff --git a/src/grid/cpu/non_orthorombic_corrections.h b/src/grid/cpu/non_orthorombic_corrections.h index 08a71dd37d..4987fd5f9b 100644 --- a/src/grid/cpu/non_orthorombic_corrections.h +++ b/src/grid/cpu/non_orthorombic_corrections.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef NON_ORTHOROMBIC_CORRECTIONS_H diff --git a/src/grid/cpu/tensor_local.c b/src/grid/cpu/tensor_local.c index a2d34951a8..6d8ae5d2bd 100644 --- a/src/grid/cpu/tensor_local.c +++ b/src/grid/cpu/tensor_local.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include "tensor_local.h" diff --git a/src/grid/cpu/tensor_local.h b/src/grid/cpu/tensor_local.h index 5db32f5876..4d182f2b9a 100644 --- a/src/grid/cpu/tensor_local.h +++ b/src/grid/cpu/tensor_local.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef TENSOR_LOCAL_H diff --git a/src/grid/cpu/utils.c b/src/grid/cpu/utils.c index 5a3bb5a54c..791697ec55 100644 --- a/src/grid/cpu/utils.c +++ b/src/grid/cpu/utils.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/cpu/utils.h b/src/grid/cpu/utils.h index 6851d5ebc6..e10901acd1 100644 --- a/src/grid/cpu/utils.h +++ b/src/grid/cpu/utils.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef UTILS_H diff --git a/src/grid/gpu/grid_gpu_collint.h b/src/grid/gpu/grid_gpu_collint.h index 79073df835..94b93b5d42 100644 --- a/src/grid/gpu/grid_gpu_collint.h +++ b/src/grid/gpu/grid_gpu_collint.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifdef __GRID_CUDA diff --git a/src/grid/gpu/grid_gpu_collocate.cu b/src/grid/gpu/grid_gpu_collocate.cu index eb3af4d973..f42940db0d 100644 --- a/src/grid/gpu/grid_gpu_collocate.cu +++ b/src/grid/gpu/grid_gpu_collocate.cu @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifdef __GRID_CUDA diff --git a/src/grid/gpu/grid_gpu_collocate.h b/src/grid/gpu/grid_gpu_collocate.h index 93fb8c0eb3..b2f2fd0fc4 100644 --- a/src/grid/gpu/grid_gpu_collocate.h +++ b/src/grid/gpu/grid_gpu_collocate.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_GPU_COLLOCATE_H #define GRID_GPU_COLLOCATE_H diff --git a/src/grid/gpu/grid_gpu_integrate.cu b/src/grid/gpu/grid_gpu_integrate.cu index f1e2615c52..761194b5a4 100644 --- a/src/grid/gpu/grid_gpu_integrate.cu +++ b/src/grid/gpu/grid_gpu_integrate.cu @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifdef __GRID_CUDA diff --git a/src/grid/gpu/grid_gpu_integrate.h b/src/grid/gpu/grid_gpu_integrate.h index dbb78edfe5..fa76c725a7 100644 --- a/src/grid/gpu/grid_gpu_integrate.h +++ b/src/grid/gpu/grid_gpu_integrate.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_GPU_INTEGRATE_H #define GRID_GPU_INTEGRATE_H diff --git a/src/grid/gpu/grid_gpu_task_list.cu b/src/grid/gpu/grid_gpu_task_list.cu index b0216d0d0f..feba0c5ad5 100644 --- a/src/grid/gpu/grid_gpu_task_list.cu +++ b/src/grid/gpu/grid_gpu_task_list.cu @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifdef __GRID_CUDA diff --git a/src/grid/gpu/grid_gpu_task_list.h b/src/grid/gpu/grid_gpu_task_list.h index 1647f3423f..2c0dac297e 100644 --- a/src/grid/gpu/grid_gpu_task_list.h +++ b/src/grid/gpu/grid_gpu_task_list.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_GPU_TASK_LIST_H #define GRID_GPU_TASK_LIST_H diff --git a/src/grid/grid_api.F b/src/grid/grid_api.F index 73e0f0abb7..2141832437 100644 --- a/src/grid/grid_api.F +++ b/src/grid/grid_api.F @@ -2,7 +2,7 @@ ! CP2K: A general program to perform molecular dynamics simulations ! ! Copyright 2000-2021 CP2K developers group ! ! ! -! SPDX-License-Identifier: GPL-2.0-or-later ! +! SPDX-License-Identifier: BSD-3-Clause ! !--------------------------------------------------------------------------------------------------! ! ************************************************************************************************** diff --git a/src/grid/grid_miniapp.c b/src/grid/grid_miniapp.c index 3de866de96..81aa3e1778 100644 --- a/src/grid/grid_miniapp.c +++ b/src/grid/grid_miniapp.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/grid_replay.c b/src/grid/grid_replay.c index e1c5836da0..70407ba5c7 100644 --- a/src/grid/grid_replay.c +++ b/src/grid/grid_replay.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ // needed for struct timespec diff --git a/src/grid/grid_replay.h b/src/grid/grid_replay.h index fd39e52a72..dcb51d9282 100644 --- a/src/grid/grid_replay.h +++ b/src/grid/grid_replay.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_REPLAY_H diff --git a/src/grid/grid_task_list.c b/src/grid/grid_task_list.c index cb3c18e8f4..0ce7626a19 100644 --- a/src/grid/grid_task_list.c +++ b/src/grid/grid_task_list.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/grid_task_list.h b/src/grid/grid_task_list.h index 3bddad2fb1..874a319236 100644 --- a/src/grid/grid_task_list.h +++ b/src/grid/grid_task_list.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_TASK_LIST_H #define GRID_TASK_LIST_H diff --git a/src/grid/grid_unittest.c b/src/grid/grid_unittest.c index f425b9c223..68e1da15f7 100644 --- a/src/grid/grid_unittest.c +++ b/src/grid/grid_unittest.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/hip/grid_hip_collocate.cc b/src/grid/hip/grid_hip_collocate.cc index a4d25e2013..8dfe1b748c 100644 --- a/src/grid/hip/grid_hip_collocate.cc +++ b/src/grid/hip/grid_hip_collocate.cc @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ /* diff --git a/src/grid/hip/grid_hip_context.cc b/src/grid/hip/grid_hip_context.cc index 65cab6c0a0..117fd18782 100644 --- a/src/grid/hip/grid_hip_context.cc +++ b/src/grid/hip/grid_hip_context.cc @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ /* diff --git a/src/grid/hip/grid_hip_context.hpp b/src/grid/hip/grid_hip_context.hpp index 95c59d8a46..1fa60b8615 100644 --- a/src/grid/hip/grid_hip_context.hpp +++ b/src/grid/hip/grid_hip_context.hpp @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ /* diff --git a/src/grid/hip/grid_hip_integrate.cc b/src/grid/hip/grid_hip_integrate.cc index 1b3976fa8f..5dd8614fad 100644 --- a/src/grid/hip/grid_hip_integrate.cc +++ b/src/grid/hip/grid_hip_integrate.cc @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ /* diff --git a/src/grid/hip/grid_hip_internal_header.h b/src/grid/hip/grid_hip_internal_header.h index 9f907a3b05..ca2b5d011b 100644 --- a/src/grid/hip/grid_hip_internal_header.h +++ b/src/grid/hip/grid_hip_internal_header.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ /* diff --git a/src/grid/hip/grid_hip_prepare_pab.h b/src/grid/hip/grid_hip_prepare_pab.h index 9d12421c6c..f3be7fcc18 100644 --- a/src/grid/hip/grid_hip_prepare_pab.h +++ b/src/grid/hip/grid_hip_prepare_pab.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ /* diff --git a/src/grid/hip/grid_hip_process_vab.h b/src/grid/hip/grid_hip_process_vab.h index e91d552067..eb3aede8d4 100644 --- a/src/grid/hip/grid_hip_process_vab.h +++ b/src/grid/hip/grid_hip_process_vab.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ /* diff --git a/src/grid/hip/grid_hip_task_list.h b/src/grid/hip/grid_hip_task_list.h index f4ceabdfd4..0e6e983a6c 100644 --- a/src/grid/hip/grid_hip_task_list.h +++ b/src/grid/hip/grid_hip_task_list.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_HIP_TASK_LIST_H #define GRID_HIP_TASK_LIST_H diff --git a/src/grid/ref/grid_ref_collint.h b/src/grid/ref/grid_ref_collint.h index fc5789be82..cc996e06db 100644 --- a/src/grid/ref/grid_ref_collint.h +++ b/src/grid/ref/grid_ref_collint.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/ref/grid_ref_collocate.c b/src/grid/ref/grid_ref_collocate.c index 321d7f3da2..8a16fd09e8 100644 --- a/src/grid/ref/grid_ref_collocate.c +++ b/src/grid/ref/grid_ref_collocate.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/ref/grid_ref_collocate.h b/src/grid/ref/grid_ref_collocate.h index bf56ace162..71fcfa9439 100644 --- a/src/grid/ref/grid_ref_collocate.h +++ b/src/grid/ref/grid_ref_collocate.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_REF_COLLOCATE_H #define GRID_REF_COLLOCATE_H diff --git a/src/grid/ref/grid_ref_integrate.c b/src/grid/ref/grid_ref_integrate.c index 028ded17f1..66c191ec6a 100644 --- a/src/grid/ref/grid_ref_integrate.c +++ b/src/grid/ref/grid_ref_integrate.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/ref/grid_ref_integrate.h b/src/grid/ref/grid_ref_integrate.h index 9cec9336da..b0e62fb877 100644 --- a/src/grid/ref/grid_ref_integrate.h +++ b/src/grid/ref/grid_ref_integrate.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_REF_INTEGRATE_H diff --git a/src/grid/ref/grid_ref_prepare_pab.c b/src/grid/ref/grid_ref_prepare_pab.c index 37ce497f6c..de87b0d90c 100644 --- a/src/grid/ref/grid_ref_prepare_pab.c +++ b/src/grid/ref/grid_ref_prepare_pab.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/ref/grid_ref_prepare_pab.h b/src/grid/ref/grid_ref_prepare_pab.h index 5d64d3cffa..e71215b81e 100644 --- a/src/grid/ref/grid_ref_prepare_pab.h +++ b/src/grid/ref/grid_ref_prepare_pab.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_REF_PREPARE_PAB_H #define GRID_REF_PREPARE_PAB_H diff --git a/src/grid/ref/grid_ref_task_list.c b/src/grid/ref/grid_ref_task_list.c index 3759b9e3eb..0d867476b1 100644 --- a/src/grid/ref/grid_ref_task_list.c +++ b/src/grid/ref/grid_ref_task_list.c @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #include diff --git a/src/grid/ref/grid_ref_task_list.h b/src/grid/ref/grid_ref_task_list.h index f741c5539c..4fbc0f7742 100644 --- a/src/grid/ref/grid_ref_task_list.h +++ b/src/grid/ref/grid_ref_task_list.h @@ -2,7 +2,7 @@ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-2021 CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: BSD-3-Clause */ /*----------------------------------------------------------------------------*/ #ifndef GRID_REF_TASK_LIST_H #define GRID_REF_TASK_LIST_H diff --git a/tools/precommit/check_file_properties.py b/tools/precommit/check_file_properties.py index 5edc1f8636..0c2f3a6c49 100755 --- a/tools/precommit/check_file_properties.py +++ b/tools/precommit/check_file_properties.py @@ -72,7 +72,7 @@ BANNER_F = """\ ! CP2K: A general program to perform molecular dynamics simulations ! ! Copyright 2000-{:d} CP2K developers group ! ! ! -! SPDX-License-Identifier: GPL-2.0-or-later ! +! SPDX-License-Identifier: {:s} ! !--------------------------------------------------------------------------------------------------! """ @@ -81,7 +81,7 @@ BANNER_FYPP = """\ #! CP2K: A general program to perform molecular dynamics simulations ! #! Copyright 2000-{:d} CP2K developers group ! #! ! -#! SPDX-License-Identifier: GPL-2.0-or-later ! +#! SPDX-License-Identifier: {:s} ! #!-------------------------------------------------------------------------------------------------! """ @@ -90,11 +90,13 @@ BANNER_C = """\ /* CP2K: A general program to perform molecular dynamics simulations */ /* Copyright 2000-{:d} CP2K developers group */ /* */ -/* SPDX-License-Identifier: GPL-2.0-or-later */ +/* SPDX-License-Identifier: {:s} */ /*----------------------------------------------------------------------------*/ """ -C_FAMILY_EXTENSIONS = (".c", ".cu", ".cpp", ".cc", ".h", ".hpp") +C_EXTENSIONS = (".c", ".cu", ".cpp", ".cc", ".h", ".hpp") + +BSD_DIRECTORIES = ("src/offload/", "src/grid/") @lru_cache(maxsize=None) @@ -144,11 +146,13 @@ def check_file(path: pathlib.Path) -> typing.List[str]: # check banner year = datetime.utcnow().year - if fn_ext == ".F" and not content.startswith(BANNER_F.format(year)): + bsd_licensed = any(str(path).startswith(d) for d in BSD_DIRECTORIES) + spdx = "BSD-3-Clause " if bsd_licensed else "GPL-2.0-or-later" + if fn_ext == ".F" and not content.startswith(BANNER_F.format(year, spdx)): warnings += [f"{path}: Copyright banner malformed"] - if fn_ext == ".fypp" and not content.startswith(BANNER_FYPP.format(year)): + if fn_ext == ".fypp" and not content.startswith(BANNER_FYPP.format(year, spdx)): warnings += [f"{path}: Copyright banner malformed"] - if fn_ext in C_FAMILY_EXTENSIONS and not content.startswith(BANNER_C.format(year)): + if fn_ext in C_EXTENSIONS and not content.startswith(BANNER_C.format(year, spdx)): warnings += [f"{path}: Copyright banner malformed"] # find all flags