From f161ba0860601462666e78b4d44b46b379d7430f Mon Sep 17 00:00:00 2001
From: Paolo Giannozzi
Date: Mon, 25 Oct 2021 06:51:04 +0200
Subject: [PATCH] configure script fixed make.depend added to .gitignore (not
sure how correctly, though)
---
.gitignore | 4 ++--
configure | 3 ++-
include/defs.h.README | 24 +++++++++++++-----------
3 files changed, 17 insertions(+), 14 deletions(-)
diff --git a/.gitignore b/.gitignore
index a1aa80caa4..de6942f861 100644
--- a/.gitignore
+++ b/.gitignore
@@ -22,9 +22,7 @@ build/
bin/*
FoX
-LIBBEEF
MBD
-include/fft_defs.h
include/configure.h
include/qe_cdefs.h
install/config.log
@@ -33,6 +31,8 @@ install/configure.msg
install/make-*
install/configure-*
install/uncompress-*
+*/make.depend
+*/*/make.depend
test-suite/*/test.err.*
test-suite/*/test.out.*
test-suite/*/pwscf*
diff --git a/configure b/configure
index 936a957ba2..f3272a776e 100755
--- a/configure
+++ b/configure
@@ -58,8 +58,9 @@ elif [[ (-e make.inc) && (-e Makefile) ]] ; then
fi
test -e ./install/make.inc && rm ./install/make.inc
-# compute dependencies (next line prevents bogus errors)
+# compute dependencies (next two lines avoid bogus errors)
touch ./include/qe_cdefs.h
+touch ./include/configure.h
./install/makedeps.sh
# run the autoconf configure with the given conf_flags
diff --git a/include/defs.h.README b/include/defs.h.README
index cab9479b82..e4540c147b 100644
--- a/include/defs.h.README
+++ b/include/defs.h.README
@@ -27,11 +27,12 @@ You should not need to edit the following files:
PREPROCESSING OPTIONS USED IN *.h FILES AND IN THE SOURCES
Predefined by specific compilers:
- _OPENMP OpenMP parallelization (all compilers)
+* _OPENMP OpenMP parallelization (all compilers)
__GFORTRAN__ GNU gfortran
__INTEL_COMPILER Intel compiler
Hardware / Compiler:
+* __CUDA Compilation for NVidia GPUs
__AIX Ibm rs/6000 machines (obsolescent)
__PGI Portland Group compiler workarounds for compiler bugs
_WIN32 Windows 32-bits
@@ -41,21 +42,21 @@ New algorithms:
__DOUBLE_BUFFER Use double buffer algorithm for parallel FFTs
Parallel execution:
- __MPI MPI parallelization
+* __MPI MPI parallelization
__MPI_MODULE Compile with "USE mpi" instead of "include 'mpif.h'"
__MPI_NONBLOCKING Use nonblocking routines (e.g. mpi_ibcast, mpi_igatherv)
Libraries:
- __FFTW FFT routines from internal FFTW library (default)
- __FFTW3 FFT routines from external FFTW v.3 library
- __DFTI FFT routines from Intel MKL library
+* __FFTW FFT routines from internal FFTW library (default)
+* __FFTW3 FFT routines from external FFTW v.3 library
+* __DFTI FFT routines from Intel MKL library
__LINUX_ESSL Use blas/lapack/fft routines from IBM ESSL library
(linux version; aix version no longer supported)
- __SCALAPACK Use Scalapack routines instead of internal ones
+* __SCALAPACK Use Scalapack routines instead of internal ones
for parallel subspace diagonalization
__ELPA_2015 Use ELPA library (compatible with ELPA 2015.x, 2016.05)
__ELPA_2016 Use ELPA library (compatible with ELPA 2016.11, 2017.x, 2018.05)
- __ELPA Use ELPA library (compatible with ELPA 2018.11, 2019.x, 2020.x)
+* __ELPA Use ELPA library (compatible with ELPA 2018.11, 2019.x, 2020.x)
__MASS Use mathematical routines from IBM MASS library
(obsolete?)
__SX6 Use MathKeisan libraries for NEC SX machines
@@ -66,9 +67,10 @@ Signals:
__TRAP_SIGUSR1 Enable signal trapping (experimental): code will stop
and save data if executable is signaled with USR1
IO / Reporting:
- __HDF5 Enable I/O using parallel HDF5 (Fortran 2003
- features needed to compile)
+* __HDF5 Enable I/O using parallel HDF5
__CLOCK_SECONDS Translate clock from HH:mm:ss to only seconds
-All other preprocessing flags are for debugging purposes and should not be
-used unless you know what you are doing
+The '*' in the first column marks the most important preprocessing flags.
+The other preprocessing flags, and those not included in this list, are
+either less likely to be useful, or are for debugging purposes and be used
+only by knowledgeable people.