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@edan-bainglass
edan-bainglass committed Jul 4, 2022
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6 changes: 3 additions & 3 deletions FFTXlib/Makefile
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#----------------------------------------------------------------------------------------
#
# Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
# Copyright (C) Quantum ESPRESSO (www.quantum-espresso.org)
#
#----------------------------------------------------------------------------------------
#
# This file is part of Environ version 3.0
#
#
# Environ 3.0 is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 2 of the License, or
# (at your option) any later version.
#
#
# Environ 3.0 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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2 changes: 1 addition & 1 deletion FFTXlib/mkl_wrapper.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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8 changes: 4 additions & 4 deletions Makefile
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#!/bin/bash
#----------------------------------------------------------------------------------------
#
# Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
#
#----------------------------------------------------------------------------------------
#
# This file is part of Environ version 3.0
#
#
# Environ 3.0 is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 2 of the License, or
# (at your option) any later version.
#
#
# Environ 3.0 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
Expand Down Expand Up @@ -121,7 +121,7 @@ compile-fft: check-makeinc
tee install/FFTXlib_comp.log
@ ( cd FFTXlib && $(MAKE) all || exit 1 ) 2>&1 | tee -a install/FFTXlib_comp.log
@ $(MAKE) check-for-errors prog=FFTXlib

compile-src: check-makeinc
@ printf "\nCompiling src...\n\n" 2>&1 | \
tee install/src_comp.log
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2 changes: 1 addition & 1 deletion README.md
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@@ -1,4 +1,4 @@
# Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)

### This file is part of Environ version 3.0

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6 changes: 3 additions & 3 deletions UtilXlib/Makefile
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#----------------------------------------------------------------------------------------
#
# Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
# Copyright (C) Quantum ESPRESSO group
#
#----------------------------------------------------------------------------------------
#
# This file is part of Environ version 3.0
#
#
# Environ 3.0 is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 2 of the License, or
# (at your option) any later version.
#
#
# Environ 3.0 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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16 changes: 8 additions & 8 deletions configure
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@@ -1,18 +1,18 @@
#!/bin/bash
#----------------------------------------------------------------------------------------
#
# Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2001-2016 Quantum ESPRESSO (www.quantum-espresso.org)
#
#----------------------------------------------------------------------------------------
#
# This file is part of Environ version 3.0
#
#
# Environ 3.0 is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 2 of the License, or
# (at your option) any later version.
#
#
# Environ 3.0 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
Expand All @@ -27,7 +27,7 @@
#
#----------------------------------------------------------------------------------------
#
# This script is a simple wrapper calling the autoconf
# This script is a simple wrapper calling the autoconf
# configuration script (configure) in install/
#
# Dependencies may be also directly generated
Expand All @@ -37,17 +37,17 @@
MANUAL=" Usage
configure [-h, --help] [--save] [<conf_flags>]
-h, --help print this manual
-h, --help print this manual
--save do not make clean
<conf_flags> these flags will be passed to
<conf_flags> these flags will be passed to
the autoconf configure
After configuration, the make.inc file will be created in the
QE home (current) directory
NOTE: CUDA Fortran code available only as a separate package
---------------------------------------------------------------
Manual from autoconf configure :
Manual from autoconf configure :
---------------------------------------------------------------
"
#
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2 changes: 1 addition & 1 deletion devtools/debugging.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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8 changes: 4 additions & 4 deletions examples/programs/descriptors/Makefile
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#----------------------------------------------------------------------------------------
#
# Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
#
#----------------------------------------------------------------------------------------
#
# This file is part of Environ version 3.0
#
#
# Environ 3.0 is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 2 of the License, or
# (at your option) any later version.
#
#
# Environ 3.0 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
Expand Down Expand Up @@ -41,7 +41,7 @@ EXAMPLES = $(subst .cube,,$(wildcard *.cube))
CMD = $(TOPDIR)/programs/driver -n descriptors -min 1 -max 10 -step 1

help:
@ echo
@ echo
@ echo " usage: make run[-parallel] example=[name]"
@ echo
@ echo " available examples = $(EXAMPLES)"
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8 changes: 4 additions & 4 deletions examples/programs/from_cube/Makefile
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#----------------------------------------------------------------------------------------
#
# Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
#
#----------------------------------------------------------------------------------------
#
# This file is part of Environ version 3.0
#
#
# Environ 3.0 is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 2 of the License, or
# (at your option) any later version.
#
#
# Environ 3.0 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
Expand Down Expand Up @@ -41,7 +41,7 @@ EXAMPLES = $(subst .in,,$(wildcard *.in))
CMD = $(TOPDIR)/programs/driver -n from_cube

help:
@ echo
@ echo
@ echo " usage: make run[-parallel] example=[name]"
@ echo
@ echo " available examples = $(EXAMPLES)"
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2 changes: 1 addition & 1 deletion install/makedeps.sh
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@@ -1,7 +1,7 @@
#!/bin/bash
#----------------------------------------------------------------------------------------
#
# Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2001-2017 Quantum ESPRESSO (www.quantum-espresso.org)
#
#----------------------------------------------------------------------------------------
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14 changes: 7 additions & 7 deletions programs/Makefile
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@@ -1,16 +1,16 @@
#----------------------------------------------------------------------------------------
#
# Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
#
#----------------------------------------------------------------------------------------
#
# This file is part of Environ version 3.0
#
#
# Environ 3.0 is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 2 of the License, or
# (at your option) any later version.
#
#
# Environ 3.0 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
Expand All @@ -36,7 +36,7 @@ include ../make.inc

MODFLAGS = $(BASEMOD_FLAGS)

DRIVER_OBJS = cmdline_args.o parsers.o prog_utils.o programs.o driver.o
DRIVER_OBJS = cmdline_args.o parsers.o prog_utils.o programs.o driver.o

ENVIRON_LIBS = -L$(TOPDIR)/libs -lenvsrc -lenvfft -lenvutil

Expand All @@ -55,7 +55,7 @@ help:
@ echo

avail:
@ echo
@ echo
@ echo "Available calculations:"
@ echo
@ echo "tester"
Expand All @@ -71,10 +71,10 @@ avail:
@ echo " An Environ calculation of the Soft-Sphere interface function surface, volume, and local surface"
@ echo " and volume. Additionally, the forces due to the interface function and energy contributions can"
@ echo " be calculated"
@ echo
@ echo
@ echo " For fine calculation control, see the README file or check out https://environ.readthedocs.io"
@ echo

usage:
@ echo
@ case "$(name)" in \
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2 changes: 1 addition & 1 deletion programs/cmdline_args.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion programs/driver.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion programs/parsers.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion programs/prog_utils.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion programs/programs.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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6 changes: 3 additions & 3 deletions src/Makefile
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#----------------------------------------------------------------------------------------
#
# Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
# Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
#
#----------------------------------------------------------------------------------------
#
# This file is part of Environ version 3.0
#
#
# Environ 3.0 is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 2 of the License, or
# (at your option) any later version.
#
#
# Environ 3.0 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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2 changes: 1 addition & 1 deletion src/array_ops.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2001-2008 Quantum ESPRESSO (www.quantum-espresso.org)
!
!----------------------------------------------------------------------------------------
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2 changes: 1 addition & 1 deletion src/boundary.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion src/boundary_electronic.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion src/boundary_ionic.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion src/boundary_system.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion src/boundary_tools.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2018-2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion src/calculator.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion src/cell.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
!
!----------------------------------------------------------------------------------------
!
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2 changes: 1 addition & 1 deletion src/char_ops.f90
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!----------------------------------------------------------------------------------------
!
! Copyright (C) 2021 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2018-2022 ENVIRON (www.quantum-environ.org)
! Copyright (C) 2001-2008 Quantum ESPRESSO (www.quantum-espresso.org)
!
!----------------------------------------------------------------------------------------
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