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Merge pull request #85 from vanderhe/versionBump
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Bump copyright version
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@vanderhe
vanderhe authored Feb 15, 2024
2 parents d9c9dac + 5172ceb commit ae520e0
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Showing 31 changed files with 39 additions and 39 deletions.
16 changes: 8 additions & 8 deletions .github/workflows/build.yml
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Expand Up @@ -107,18 +107,20 @@ jobs:
os: [ubuntu-latest]
mpi: [nompi]
socket: [nosocket, socket]
fc: [ifort]
cc: [icx]
env:
CC: icc
FC: ${{ matrix.fc }}
CC: ${{ matrix.cc }}
WITH_MPI: false
APT_PACKAGES: >-
intel-oneapi-compiler-fortran
intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic
intel-oneapi-compiler-dpcpp-cpp
intel-oneapi-mkl
intel-oneapi-mkl-devel
CMAKE_OPTIONS: >-
-DCMAKE_BUILD_TYPE=RelWithDebInfo
-DFYPP_FLAGS='-DTRAVIS'
-DTOOLCHAIN=intel
steps:
- name: Checkout code
Expand All @@ -132,10 +134,8 @@ jobs:
- name: Add Intel repository
if: contains(matrix.os, 'ubuntu')
run: |
wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
echo "deb https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
wget -O- https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB | gpg --dearmor | sudo tee /usr/share/keyrings/oneapi-archive-keyring.gpg > /dev/null
echo "deb [signed-by=/usr/share/keyrings/oneapi-archive-keyring.gpg] https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
sudo apt-get update
- name: Install Intel oneAPI compiler
Expand All @@ -158,7 +158,7 @@ jobs:
wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.13/hdf5-1.13.2/src/CMake-hdf5-1.13.2.tar.gz
tar xfz CMake-hdf5-1.13.2.tar.gz
cd CMake-hdf5-1.13.2/hdf5-1.13.2/
CC=gcc CXX=icpc FC=ifort F9X=ifort ./configure --prefix=${PWD}/hdf5 --enable-fortran --with-default-api-version=v110 --enable-shared
CC=icx CXX=icx FC=ifort F9X=ifort ./configure --prefix=${PWD}/hdf5 --enable-fortran --with-default-api-version=v110 --enable-shared
make -j -l2
make install
export HDF5_ROOT=${PWD}/hdf5
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2 changes: 1 addition & 1 deletion LICENSE
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@@ -1,5 +1,5 @@
Fortnet: A Behler-Parrinello-Neural-Network Implementation
Copyright (C) 2020 - 2023 T. W. van der Heide
Copyright (C) 2020 - 2024 T. W. van der Heide

This program is free software: you can redistribute it and/or modify it under
the terms of the GNU Lesser General Public License as published by the Free
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2 changes: 1 addition & 1 deletion doc/recipes/docs/conf.py
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Expand Up @@ -25,7 +25,7 @@
# -- Project information -----------------------------------------------------

project = "Fortnet Recipes"
copyright = "2023, T. W. van der Heide"
copyright = "2024, T. W. van der Heide"
author = "T. W. van der Heide"

# -- General configuration ---------------------------------------------------
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_analysis/forces.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_common/loss.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_common/nestedtypes.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_common/parallel.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_common/random.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_common/workarounds.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_descriptors/acsf.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_dftbp/mpifx.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_extlibs/dftbp.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_extlibs/fsockets.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_extlibs/mpifx.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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4 changes: 2 additions & 2 deletions prog/fortnet/lib_fortnet/initprogram.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
Expand Down Expand Up @@ -308,7 +308,7 @@ module fnet_initprogram
character(len=*), parameter :: version = '0.7.3'

!> copyright year
integer, parameter :: copyrightYear = 2023
integer, parameter :: copyrightYear = 2024

!> root node name of the input tree
character(len=*), parameter :: rootTag = 'fortnet'
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_hdf5fx/hdf5fx.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_io/fnetdata.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_io/fnetout.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_io/ipisocket.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_io/iterout.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_io/netstat.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_nn/bpnn.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_nn/layer.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_nn/network.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_nn/transfer.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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2 changes: 1 addition & 1 deletion prog/fortnet/lib_optimizers/optimizers.F90
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!--------------------------------------------------------------------------------------------------!
! FORTNET: A Behler-Parrinello-Neural-Network Implementation !
! Copyright (C) 2020 - 2023 T. W. van der Heide !
! Copyright (C) 2020 - 2024 T. W. van der Heide !
! !
! See the LICENSE file for terms of usage and distribution. !
!--------------------------------------------------------------------------------------------------!
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