Autoconf examples¶
This page gathers the autoconf files used by the buildbot testfarm. The different bots are described in the Wiki: slave matrix and builder matrix.
scope_gnu_13.2_dep.ac9¶
# Forced Fortran compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FCFLAGS="-O0 -g -ffree-line-length-none -ffree-form -fbacktrace"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/OpenBLAS-0.3.25_gcc13.2/lib -lopenblas -lpthread"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.12.2"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
ubu_intel_16.0_mpich.ac9¶
# Reduce AVX optimizations in sensitive subprograms (default is no)
#
enable_avx_safe_mode="no"
# C preprocessor (should not be set in most cases)
#
CPP="icc -E"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-traceback"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Fortran flags for BigDFT (default is unset)
#
BIGDFT_FCFLAGS="-I${FALLBACKS_HOME}_9.8/${FB}/bigdft/abinit-1.7.1.30/include"
# Library flags for BigDFT (default is unset)
#
BIGDFT_LIBS="-L${FALLBACKS_HOME}_9.8/${FB}/bigdft/abinit-1.7.1.30/lib -lbigdft-1 -labinit -lpaw_bigdft -lyaml -lrt"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
alps_gnu_9.3_serial.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-fno-frontend-optimize -O2 -g -Wall -Wno-maybe-uninitialized -ffpe-trap=invalid,zero,overflow -fbacktrace -pedantic -fcheck=all"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="no"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/OpenBLAS-0.3.10_gcc93/lib -lopenblas -lpthread"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="fftw3"
# Fortran flags for the FFTW3 library (default is unset)
#
FFTW3_FCFLAGS="-I/usr/include"
# Library flags for the FFTW3 library (default is unset)
#
FFTW3_LIBS="-L/usr/lib/x86_64-linux -lfftw3 -lfftw3f"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
scope_gnu_10.2_paral.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-fbacktrace"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/OpenBLAS-0.3.10_gcc10.2/lib -lopenblas -lpthread"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="fftw3"
# C preprocessor flags for the FFTW3 library (default is unset)
#
FFTW3_CPPFLAGS="-I/usr/include"
# Fortran flags for the FFTW3 library (default is unset)
#
FFTW3_FCFLAGS="-I/usr/include"
# Library flags for the FFTW3 library (default is unset)
#
FFTW3_LIBS="-L/usr/lib/x86_64-linux-gnu -lfftw3 -lfftw3f"
# Fortran flags for BigDFT (default is unset)
#
BIGDFT_FCFLAGS="-I${FALLBACKS_HOME}_9.8/${FB}/bigdft/abinit-1.7.1.30/include"
# Library flags for BigDFT (default is unset)
#
BIGDFT_LIBS="-L${FALLBACKS_HOME}_9.8/${FB}/bigdft/abinit-1.7.1.30/lib -lbigdft-1 -labinit -lpaw_bigdft -lyaml -lrt"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="no"
higgs_gnu_12.3_cov.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="--coverage -fallow-argument-mismatch -fbacktrace"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for BigDFT (default is unset)
#
BIGDFT_FCFLAGS="-I${FALLBACKS_HOME}_9.8/${FB}/bigdft/abinit-1.7.1.30/include"
# Library flags for BigDFT (default is unset)
#
BIGDFT_LIBS="-L${FALLBACKS_HOME}_9.8/${FB}/bigdft/abinit-1.7.1.30/lib -lbigdft-1 -labinit -lpaw_bigdft -lyaml -lrt"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
minimac_gnu_12.2_macports.ac9¶
# Forced C compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
CFLAGS="-O2 -g"
# Forced C++ compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
CXXFLAGS="-O2 -g"
# Forced Fortran compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FCFLAGS="-O2 -g -ffree-line-length-none -fallow-argument-mismatch -fbacktrace"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="/opt/local"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I/opt/local/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/opt/local/lib -lopenblas"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="fftw3"
# C preprocessor flags for the FFTW3 library (default is unset)
#
FFTW3_CPPFLAGS="-I/opt/local/include"
# Fortran flags for the FFTW3 library (default is unset)
#
FFTW3_FCFLAGS="-I/opt/local/include"
# Library flags for the FFTW3 library (default is unset)
#
FFTW3_LIBS="-L/opt/local/lib -lfftw3 -lfftw3f"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="/opt/local"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="/opt/local"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="/opt/local"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="/opt/local"
# Fortran flags for the Wannier90 library (default is unset)
#
WANNIER90_FCFLAGS="-I/opt/local/include"
# Link flags for the Wannier90 library (default is unset)
#
WANNIER90_LIBS="-L/opt/local/lib -lwannier"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="no"
alps_intel_21.4_elpa.ac9¶
# Reduce AVX optimizations in sensitive subprograms (default is no)
#
enable_avx_safe_mode="no"
# C preprocessor (should not be set in most cases)
#
CPP="icc -E"
# C compiler
#
CC="mpiicc"
# C++ compiler
#
CXX="mpiicpc"
# Fortran compiler
#
FC="mpiifort"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-traceback"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="yes"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl+elpa"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR}"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR} -I${ELPA_FC_INC}"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -L${ELPA_LIB_DIR} -lelpa"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
ubu_intel_16.0_openmp.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-traceback"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="no"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="no"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
# Enable OpenMP (gmatteo, torrent)
#
enable_openmp="yes"
scope_gnu_12.2_mpich.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-fbacktrace"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/OpenBLAS-0.3.21_gcc12.2/lib -lopenblas -lpthread"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
# Enable memory profiling (waroquiers)
#
enable_memory_profiling="yes"
minimac_gnu_13.2_homebrew.ac9¶
# Forced C compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
CFLAGS="-O2 -g"
# Forced C++ compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
CXXFLAGS="-O2 -g"
# Forced Fortran compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FCFLAGS="-O2 -g -ffree-line-length-none -fallow-argument-mismatch -fbacktrace"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="/opt/homebrew"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I/opt/homebrew/opt/openblas/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/opt/homebrew/opt/openblas/lib -lopenblas"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="fftw3"
# C preprocessor flags for the FFTW3 library (default is unset)
#
FFTW3_CPPFLAGS="-I/opt/homebrew/include"
# Fortran flags for the FFTW3 library (default is unset)
#
FFTW3_FCFLAGS="-I/opt/homebrew/include"
# Library flags for the FFTW3 library (default is unset)
#
FFTW3_LIBS="-L/opt/homebrew/lib -lfftw3 -lfftw3f"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="/opt/homebrew"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="/opt/homebrew"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="/opt/homebrew"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="/opt/homebrew"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="no"
atlas_intel_18.0_openmpi.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-traceback"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
abiref_gnu_9.5_sdebug.ac9¶
# Select debug level (default is basic)
#
# Allowed values:
#
# * none : strip debugging symbols
# * custom : allow for user-defined debug flags
# * basic : add '-g' option when the compiler allows for it
# * verbose : like basic + definition of the DEBUG_VERBOSE CPP option
# * enhanced : disable optimizations and debug verbosely
# * paranoid : enhanced debugging with additional warnings
# * naughty : paranoid debugging with array bound checks
#
# Levels other than no and yes are "profile mode" levels in which
# user-defined flags are overriden and optimizations disabled (see
# below)
#
# Note: debug levels are incremental, i.e. the flags of one level are
# appended to those of the previous ones
#
with_debug_flavor="enhanced"
# Select optimization level whenever possible (default is standard,
# except when debugging is in profile mode - see above - in which case
# optimizations are turned off)
#
# Supported levels:
#
# * none : disable optimizations
# * custom : enable optimizations with user-defined flags
# * safe : build slow and very reliable code
# * standard : build fast and reliable code
# * aggressive : build very fast code, regardless of reliability
#
# Levels other than no and yes are "profile mode" levels in which
# user-defined flags are overriden
#
# Note:
#
# * this option is ignored when the debug is level is higher than basic
#
with_optim_flavor="none"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-Wall -fbacktrace"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Use C clock instead of Fortran clock for timings (default is no)
#
enable_cclock="no"
# Wrap Fortran compiler calls (default is auto-detected)
# Combine this option with with_debug_flavor="basic" (or some other debug flavor) to keep preprocessed source
# files (they are removed by default, except if their build fails)
#
enable_fc_wrapper="no"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/scalapack-2.2.0/lib -lscalapack -L/usr/local/OpenBLAS-0.3.9_gcc95/lib -lopenblas -lpthread"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="fftw3"
# Fortran flags for the FFTW3 library (default is unset)
#
FFTW3_FCFLAGS="-I/usr/include"
# Library flags for the FFTW3 library (default is unset)
#
FFTW3_LIBS="-L/usr/lib64 -lfftw3 -lfftw3f"
# Enable BigDFT support (default is no)
#
with_bigdft="no"
# Trigger and install prefix for Levmar (default is unset)
#
with_levmar="no"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for LibXML2 (default is unset)
#
with_libxml2="no"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="no"
# Trigger and install prefix for TRIQS (default is unset)
#
with_triqs="no"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable Wannier90 support (default is no)
#
with_wannier90="no"
# Enable XMLF90 support (default is no)
#
with_xmlf90="no"
# Enable PAPI support (default is no)
#
with_papi="no"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="no"
# Enable OpenMP (gmatteo, torrent)
#
enable_openmp="no"
scope_gnu_12.2_abipy.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-fbacktrace"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/OpenBLAS-0.3.21_gcc12.2/lib -lopenblas -lpthread"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
# Enable memory profiling (waroquiers)
#
enable_memory_profiling="no"
eos_gnu_13.2_mpich.ac9¶
# C preprocessor additional custom flags
#
CPPFLAGS_EXTRA="-DHAVE_TEST_TIME_PARTITIONING"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-O2 -g -Wall -Wno-maybe-uninitialized -ffpe-trap=invalid,zero,overflow -fbacktrace -fcheck=all -fallow-argument-mismatch -lcurl"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-m64 -I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-m64 -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -Wl,--no-as-needed -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -lcurl"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}/${FB}/libxc/6.2.2"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}/${FB}/hdf5/1.14.4-2"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}/${FB}/netcdf4/4.9.2"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}/${FB}/netcdf4_fortran/4.6.1"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}/${FB}/libpsml/2.0.1"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}/${FB}/xmlf90/1.6.3"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
scope_gnu_10.2_s64.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-fbacktrace"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/OpenBLAS-0.3.10_gcc10.2/lib -lopenblas -lpthread"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="fftw3"
# C preprocessor flags for the FFTW3 library (default is unset)
#
FFTW3_CPPFLAGS="-I/usr/include"
# Fortran flags for the FFTW3 library (default is unset)
#
FFTW3_FCFLAGS="-I/usr/include"
# Library flags for the FFTW3 library (default is unset)
#
FFTW3_LIBS="-L/usr/lib/x86_64-linux-gnu -lfftw3 -lfftw3f"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
alps_gnu_9.3_openmpi.ac9¶
# C preprocessor additional custom flags
#
CPPFLAGS_EXTRA="-DHAVE_TEST_TIME_PARTITIONING"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-O2 -g -Wall -Wno-maybe-uninitialized -ffpe-trap=invalid,zero,overflow -fbacktrace -pedantic -fcheck=all"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="openblas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/OpenBLAS-0.3.10_gcc93/lib -lopenblas -lpthread"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="fftw3"
# Fortran flags for the FFTW3 library (default is unset)
#
FFTW3_FCFLAGS="-I/usr/include"
# Library flags for the FFTW3 library (default is unset)
#
FFTW3_LIBS="-L/usr/lib/x86_64-linux -lfftw3 -lfftw3f"
# Fortran flags for BigDFT (default is unset)
#
BIGDFT_FCFLAGS="-I${FALLBACKS_HOME}_9.8/${FB}/bigdft/abinit-1.7.1.30/include"
# Library flags for BigDFT (default is unset)
#
BIGDFT_LIBS="-L${FALLBACKS_HOME}_9.8/${FB}/bigdft/abinit-1.7.1.30/lib -lbigdft-1 -labinit -lpaw_bigdft -lyaml -lrt"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
eos_nvhpc_23.9_hpc.ac9¶
# Reduce AVX optimizations in sensitive subprograms (default is no)
#
enable_avx_safe_mode="no"
# C compiler
#
CC="mpicc"
# C++ compiler
#
CXX="mpicxx"
# Fortran compiler
#
FC="mpifort"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-I${ELPA_FC_INC} -traceback"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Set per-directory Fortran optimizations (useful when a Fortran compiler
# crashes during the build)
#
# Note: this option is not available through the command line
#
fcflags_opt_80_tdep=""-O1""
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="yes"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Trigger and install prefix for GPU libraries and compilers
#
# Permitted values:
#
# * no : disable GPU support
# * yes : enable GPU support, assuming the build environment
# is properly set
# * <prefix> : look for GPU in the <prefix> directory
#
# Note: The build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_gpu="$CUDA_INSTALL_PATH"
# Flavor of the GPU library to use (default is cuda-single)
#
# Supported libraries:
#
# * cuda-single : Cuda with single-precision arithmetic
# * cuda-double : Cuda with double-precision arithmetic
# * none : not implemented (will replace enable_gpu)
#
with_gpu_flavor="cuda-double"
# GPU C preprocessor flags (default is unset)
#
GPU_CPPFLAGS="-I${CUDA_INSTALL_PATH}/include"
# GPU C flags (default is unset)
#
GPU_CFLAGS="-I${CUDA_INSTALL_PATH}/include"
# GPU C++ flags (default is unset)
#
GPU_CXXFLAGS="-I${CUDA_INSTALL_PATH}/include"
# GPU Fortran flags (default is unset)
#
GPU_FCFLAGS="-I${CUDA_INSTALL_PATH}/include"
# GPU link flags (default is unset)
#
GPU_LIBS="-L${CUDA_INSTALL_PATH}/lib64 -lcublas -lcublasLt -lcufft -lcusolver -lcudart -lstdc++"
# GPU arch, useful for autosetting OpenMP offload flags (default is NVIDIA Ampere)
# Example values : - 60 (NVIDIA Pascal)
# - 70 (NVIDIA Volta)
# - 75 (NVIDIA Turing)
# - 80 (NVIDIA Ampere)
# - 90 (NVIDIA Hopper)
#
GPU_ARCH="80"
# nVidia C compiler (should not be set)
#
NVCC="${CUDA_INSTALL_PATH}/bin/nvcc"
# Forced nVidia C compiler flags (should not be set)
#
NVCC_CFLAGS="-O3 -arch=sm_${GPU_ARCH} -Xptxas=-v --use_fast_math --compiler-options -O3,-fPIC,-DHAVE_CONFIG_H"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl+elpa"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR}"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR} -I${ELPA_FC_INC}"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_pgi_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -pgf90libs -mp -lpthread -lm -ldl -L${ELPA_LIB_DIR} -lelpa"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}/${FB}/netcdf4_fortran/4.6.0"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
# Enable OpenMP (gmatteo, torrent)
#
enable_openmp="yes"
# Enable OpenMP GPU offload (sarrautem, torrent)
#
enable_openmp_offload="yes"
eos_nvhpc_23.1_elpa.ac9¶
# Reduce AVX optimizations in sensitive subprograms (default is no)
#
enable_avx_safe_mode="no"
# C compiler
#
CC="mpicc"
# C++ compiler
#
CXX="mpicxx"
# Fortran compiler
#
FC="mpifort"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-I${ELPA_FC_INC} -traceback"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Set per-directory Fortran optimizations (useful when a Fortran compiler
# crashes during the build)
#
# Note: this option is not available through the command line
#
fcflags_opt_80_tdep=""-O1""
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="yes"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl+elpa"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR}"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR} -I${ELPA_FC_INC}"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_pgi_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -pgf90libs -mp -lpthread -lm -ldl -L${ELPA_LIB_DIR} -lelpa"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
buda2_gnu_8.5_cuda.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-fbacktrace"
# Fortran linker custom flags
#
FC_LDFLAGS_EXTRA="-Wl,-z,muldefs"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPIHOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Trigger and install prefix for GPU libraries and compilers
#
# Permitted values:
#
# * no : disable GPU support
# * yes : enable GPU support, assuming the build environment
# is properly set
# * <prefix> : look for GPU in the <prefix> directory
#
# Note: The build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_gpu="$CUDA_ROOT"
# Flavor of the GPU library to use (default is cuda-single)
#
# Supported libraries:
#
# * cuda-single : Cuda with single-precision arithmetic
# * cuda-double : Cuda with double-precision arithmetic
# * none : not implemented (will replace enable_gpu)
#
with_gpu_flavor="cuda-double"
# Forced nVidia C compiler flags (should not be set)
#
NVCC_CFLAGS="-O3 -gencode arch=compute_70,code=sm_70 -gencode arch=compute_35,code=sm_35 -Xptxas=-v --use_fast_math --compiler-options -O3,-fPIC -DHAVE_CONFIG_H"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl+magma"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MAGMA_ROOT}/include -I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MAGMA_ROOT}/include -I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MAGMA_ROOT}/lib -Wl,--start-group -lmagma -lcuda -Wl,--end-group -L${MKLROOT}/lib/intel64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread -lm"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
bob_gnu_13.2_openmp.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-fopenmp -I/usr/lib64/gfortran/modules -fbacktrace"
# Fortran linker custom flags
#
FC_LDFLAGS_EXTRA="-fopenmp"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="no"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="no"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="atlas"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I/usr/include/atlas"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/lib64/atlas -ltatlas -lsatlas"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="yes"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="yes"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="yes"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="yes"
# Enable OpenMP (gmatteo, torrent)
#
enable_openmp="yes"
eos_nvhpc_23.9_elpa.ac9¶
# Reduce AVX optimizations in sensitive subprograms (default is no)
#
enable_avx_safe_mode="no"
# C compiler
#
CC="mpicc"
# C++ compiler
#
CXX="mpicxx"
# Fortran compiler
#
FC="mpifort"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-I${ELPA_FC_INC} -traceback"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Set per-directory Fortran optimizations (useful when a Fortran compiler
# crashes during the build)
#
# Note: this option is not available through the command line
#
fcflags_opt_80_tdep=""-O1""
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="yes"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Trigger and install prefix for GPU libraries and compilers
#
# Permitted values:
#
# * no : disable GPU support
# * yes : enable GPU support, assuming the build environment
# is properly set
# * <prefix> : look for GPU in the <prefix> directory
#
# Note: The build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_gpu="$CUDA_INSTALL_PATH"
# Flavor of the GPU library to use (default is cuda-single)
#
# Supported libraries:
#
# * cuda-single : Cuda with single-precision arithmetic
# * cuda-double : Cuda with double-precision arithmetic
# * none : not implemented (will replace enable_gpu)
#
with_gpu_flavor="cuda-double"
# GPU C preprocessor flags (default is unset)
#
GPU_CPPFLAGS="-I${CUDA_INSTALL_PATH}/include"
# GPU C flags (default is unset)
#
GPU_CFLAGS="-I${CUDA_INSTALL_PATH}/include"
# GPU C++ flags (default is unset)
#
GPU_CXXFLAGS="-I${CUDA_INSTALL_PATH}/include"
# GPU Fortran flags (default is unset)
#
GPU_FCFLAGS="-I${CUDA_INSTALL_PATH}/include"
# GPU link flags (default is unset)
#
GPU_LIBS="-L${CUDA_INSTALL_PATH}/lib64 -lcublas -lcublasLt -lcufft -lcusolver -lcudart -lstdc++ -lhwloc"
# GPU arch, useful for autosetting OpenMP offload flags (default is NVIDIA Ampere)
# Example values : - 60 (NVIDIA Pascal)
# - 70 (NVIDIA Volta)
# - 75 (NVIDIA Turing)
# - 80 (NVIDIA Ampere)
# - 90 (NVIDIA Hopper)
#
GPU_ARCH="80"
# nVidia C compiler (should not be set)
#
NVCC="${CUDA_INSTALL_PATH}/bin/nvcc"
# Forced nVidia C compiler flags (should not be set)
#
NVCC_CFLAGS="-O3 -arch=sm_${GPU_ARCH} -Xptxas=-v --use_fast_math --compiler-options -O3,-fPIC,-DHAVE_CONFIG_H"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl+elpa"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR}"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR} -I${ELPA_FC_INC}"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_pgi_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -pgf90libs -mp -lpthread -lm -ldl -L${ELPA_LIB_DIR} -lelpa"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Enable Kokkos Core support (default is no)
#
with_kokkos="/usr/local/kokkos-4.2.0_cuda-12.0_nvhpc-23.1"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}/${FB}/netcdf4_fortran/4.6.0"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable YAKL support (default is no)
#
with_yakl="/usr/local/yakl-cuda_12.0-nvhpc_23.1"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
# Enable OpenMP (gmatteo, torrent)
#
enable_openmp="yes"
# Enable OpenMP GPU offload (sarrautem, torrent)
#
enable_openmp_offload="yes"
eos_nvhpc_23.11_elpa.ac9¶
# Reduce AVX optimizations in sensitive subprograms (default is no)
#
enable_avx_safe_mode="no"
# C compiler
#
CC="mpicc"
# C++ compiler
#
CXX="mpicxx"
# Fortran compiler
#
FC="mpifort"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-I${ELPA_FC_INC} -traceback"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Set per-directory Fortran optimizations (useful when a Fortran compiler
# crashes during the build)
#
# Note: this option is not available through the command line
#
fcflags_opt_80_tdep=""-O1""
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="yes"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl+elpa"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR}"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include -I${ELPA_INC_DIR} -I${ELPA_FC_INC}"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_pgi_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -pgf90libs -mp -lpthread -lm -ldl -L${ELPA_LIB_DIR} -lelpa"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}/${FB}/netcdf4_fortran/4.6.0"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
alps_nag_7.1_openmpi.ac9¶
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="netlib"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L/usr/local/netlib_v3.10_nag7.1 -llapack -lrefblas -lpthread -lm"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for LibXML2 (default is unset)
#
with_libxml2="yes"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
eos_gnu_13.2_serial.ac9¶
# C compiler
#
CC="gcc"
# C++ compiler
#
CXX="g++"
# Fortran compiler
#
FC="gfortran"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-O2 -g -Wall -Wno-maybe-uninitialized -ffpe-trap=invalid,zero,overflow -fbacktrace -fcheck=all -fallow-argument-mismatch -lcurl"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="no"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="no"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-m64 -I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-m64 -L${MKLROOT}/lib/intel64 -Wl,--no-as-needed -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lpthread -lm -ldl -lcurl"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}/${FB}/libxc/6.2.2"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}/${FB}/hdf5/1.14.4-2"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}/${FB}/netcdf4/4.9.2"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}/${FB}/netcdf4_fortran/4.6.1"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}/${FB}/libpsml/2.0.1"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}/${FB}/xmlf90/1.6.3"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
atlas_intel_19.1_bdir.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-traceback"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="yes"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
higgs_intel_19.0_serial.ac9¶
# C compiler
#
CC="icc"
# C++ compiler
#
CXX="icpc"
# Fortran compiler
#
FC="ifort"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-traceback"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="no"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
ubu_gnu_9.2_openmpi.ac9¶
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-fno-frontend-optimize -O3 -g -Wall -Wno-maybe-uninitialized -fbacktrace -pedantic -fcheck=all -finit-real=nan -fbacktrace"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"
abiref_intel_19.1_mpich.ac9¶
# Reduce AVX optimizations in sensitive subprograms (default is no)
#
enable_avx_safe_mode="no"
# C preprocessor (should not be set in most cases)
#
CPP="icc -E"
# Fortran compiler additional custom flags
#
FCFLAGS_EXTRA="-traceback"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
FC_LIBS="-lstdc++ -ldl"
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * no : disable MPI support
# * yes : enable MPI support, assuming the compiler is MPI-aware
# * <prefix> : look for MPI in the <prefix> directory
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
# Note:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix.
#
with_mpi="${MPI_HOME}"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Flavor of linear algebra libraries to use (default is netlib)
#
with_linalg_flavor="mkl"
# C preprocessing flags for linear algebra (default is unset)
#
LINALG_CPPFLAGS="-I${MKLROOT}/include"
# Fortran flags for linear algebra (default is unset)
#
LINALG_FCFLAGS="-I${MKLROOT}/include"
# Library flags for linear algebra (default is unset)
#
LINALG_LIBS="-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl"
# Flavor of FFT framework to support (default is auto)
#
with_fft_flavor="dfti"
# Fortran flags for the FFT framework (default is unset)
#
FFT_FCFLAGS="-I${MKLROOT}/include"
# Trigger and install prefix for LibXC (default is unset)
#
with_libxc="${FALLBACKS_HOME}_9.8/${FB}/libxc/6.0.0"
# Trigger and install prefix for HDF5 (default is unset)
#
with_hdf5="${FALLBACKS_HOME}_9.8/${FB}/hdf5/1.10.8"
# Trigger and install prefix for NetCDF (default is unset)
#
with_netcdf="${FALLBACKS_HOME}_9.8/${FB}/netcdf4/4.9.0"
# Enable Netcdf mode in Abinit (use netcdf as default I/O library,
# change the default values of accesswff)
#
enable_netcdf_default="no"
# Trigger and install prefix for NetCDF-Fortran (default is unset)
#
with_netcdf_fortran="${FALLBACKS_HOME}_9.8/${FB}/netcdf4_fortran/4.6.0"
# Enable LibPSML support (default is no)
#
with_libpsml="${FALLBACKS_HOME}_9.8/${FB}/libpsml/1.1.12"
# Allow Fortran programs to call Python
#
enable_python_invocation="yes"
# Enable Wannier90 support (default is no)
#
with_wannier90="${FALLBACKS_HOME}_9.8/${FB}/wannier90/2.0.1.1"
# Enable XMLF90 support (default is no)
#
with_xmlf90="${FALLBACKS_HOME}_9.8/${FB}/xmlf90/1.5.6"
# Enable double precision for GW calculations (gmatteo)
#
enable_gw_dpc="yes"