comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 06:05:29 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

grid: Change license to BSD-3-Clause

Browse source
This commit is contained in:
Ole Schütt 2021-08-30 21:03:26 +02:00 • committed by Ole Schütt
parent 54c4659d9e
commit 760f22d32b
62 changed files with 100 additions and 67 deletions
Download patch file Download diff file Expand all files Collapse all files

29
src/grid/LICENSE Normal file
View file

@ -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.

2
src/grid/common/grid_basis_set.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <stdlib.h>

2
src/grid/common/grid_basis_set.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_BASIS_SET_H
#define GRID_BASIS_SET_H

2
src/grid/common/grid_common.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_COMMON_H
#define GRID_COMMON_H

2
src/grid/common/grid_constants.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_CONSTANTS_H
#define GRID_CONSTANTS_H

2
src/grid/common/grid_library.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/common/grid_library.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_LIBRARY_H
#define GRID_LIBRARY_H

2
src/grid/common/grid_prepare_pab.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include "../common/grid_common.h"

2
src/grid/common/grid_process_vab.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <stdbool.h>

2
src/grid/common/grid_sphere_cache.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include "grid_sphere_cache.h"

2
src/grid/common/grid_sphere_cache.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_SPHERE_CACHE_H

2
src/grid/cpu/coefficients.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/cpu/coefficients.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef COEFFICIENTS_H

2
src/grid/cpu/collocation_integration.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <stdbool.h>

2
src/grid/cpu/collocation_integration.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef COLLOCATION_INTEGRATION_H

2
src/grid/cpu/cpu_private_header.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef CPU_PRIVATE_HEADER_H

2
src/grid/cpu/grid_collocate_dgemm.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/cpu/grid_collocate_dgemm.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_COLLOCATE_DGEMM_H

2
src/grid/cpu/grid_context_cpu.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <math.h>

2
src/grid/cpu/grid_context_cpu.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_CONTEXT_CPU_H

2
src/grid/cpu/grid_cpu_task_list.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* 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

2
src/grid/cpu/grid_integrate_dgemm.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/cpu/grid_prepare_pab_dgemm.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include "grid_prepare_pab_dgemm.h"

2
src/grid/cpu/grid_prepare_pab_dgemm.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_PREPARE_PAB_DGEMM_H

2
src/grid/cpu/non_orthorombic_corrections.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include "non_orthorombic_corrections.h"

2
src/grid/cpu/non_orthorombic_corrections.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef NON_ORTHOROMBIC_CORRECTIONS_H

2
src/grid/cpu/tensor_local.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include "tensor_local.h"

2
src/grid/cpu/tensor_local.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef TENSOR_LOCAL_H

2
src/grid/cpu/utils.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/cpu/utils.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef UTILS_H

2
src/grid/gpu/grid_gpu_collint.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifdef __GRID_CUDA

2
src/grid/gpu/grid_gpu_collocate.cu
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifdef __GRID_CUDA

2
src/grid/gpu/grid_gpu_collocate.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_GPU_COLLOCATE_H
#define GRID_GPU_COLLOCATE_H

2
src/grid/gpu/grid_gpu_integrate.cu
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifdef __GRID_CUDA

2
src/grid/gpu/grid_gpu_integrate.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_GPU_INTEGRATE_H
#define GRID_GPU_INTEGRATE_H

2
src/grid/gpu/grid_gpu_task_list.cu
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifdef __GRID_CUDA

2
src/grid/gpu/grid_gpu_task_list.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* 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

2
src/grid/grid_api.F
View file

@ -2,7 +2,7 @@
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright 2000-2021 CP2K developers group <https://cp2k.org> !
! !
! SPDX-License-Identifier: GPL-2.0-or-later !
! SPDX-License-Identifier: BSD-3-Clause !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/grid/grid_miniapp.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <stdio.h>

2
src/grid/grid_replay.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
// needed for struct timespec

2
src/grid/grid_replay.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_REPLAY_H

2
src/grid/grid_task_list.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/grid_task_list.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_TASK_LIST_H
#define GRID_TASK_LIST_H

2
src/grid/grid_unittest.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <stdio.h>

2
src/grid/hip/grid_hip_collocate.cc
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
/*

2
src/grid/hip/grid_hip_context.cc
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
/*

2
src/grid/hip/grid_hip_context.hpp
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
/*

2
src/grid/hip/grid_hip_integrate.cc
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
/*

2
src/grid/hip/grid_hip_internal_header.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
/*

2
src/grid/hip/grid_hip_prepare_pab.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
/*

2
src/grid/hip/grid_hip_process_vab.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
/*

2
src/grid/hip/grid_hip_task_list.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* 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

2
src/grid/ref/grid_ref_collint.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/ref/grid_ref_collocate.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/ref/grid_ref_collocate.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_REF_COLLOCATE_H
#define GRID_REF_COLLOCATE_H

2
src/grid/ref/grid_ref_integrate.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/ref/grid_ref_integrate.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#ifndef GRID_REF_INTEGRATE_H

2
src/grid/ref/grid_ref_prepare_pab.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/ref/grid_ref_prepare_pab.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* 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

2
src/grid/ref/grid_ref_task_list.c
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* SPDX-License-Identifier: GPL-2.0-or-later */
/* SPDX-License-Identifier: BSD-3-Clause */
/*----------------------------------------------------------------------------*/
#include <assert.h>

2
src/grid/ref/grid_ref_task_list.h
View file

@ -2,7 +2,7 @@
/* CP2K: A general program to perform molecular dynamics simulations */
/* Copyright 2000-2021 CP2K developers group <https://cp2k.org> */
/* */
/* 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

18
tools/precommit/check_file_properties.py
View file

@ -72,7 +72,7 @@ BANNER_F = """\
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright 2000-{:d} CP2K developers group <https://cp2k.org> !
! !
! 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 <https://cp2k.org> !
#! !
#! 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 <https://cp2k.org> */
/* */
/* 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