Autoconf examples

This page gathers the autoconf files used by the buildbot testfarm. The different bots are described in Abinit web site server matrix and builder matrix.

eos_gnu_13.2_mpich.ac9

```shell

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,no-pointer -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

* : look for MPI in the 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=”\({FALLBACKS_HOME}/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

eos_gnu_13.2_mpichT.ac9

```shell

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,no-pointer -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

* : look for MPI in the 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=”\({FALLBACKS_HOME}/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

eos_gnu_13.2_nan.ac9

```shell

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,no-pointer -fallow-argument-mismatch -lcurl -finit-real=nan”

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

* : look for MPI in the 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=”\({FALLBACKS_HOME}/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

scope_gnu_13.2_dep.ac9

```shell

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

* : look for MPI in the 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=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}_10.6/\)/libpsml/2.1.0”

Allow Fortran programs to call Python

enable_python_invocation=”yes”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}_10.6/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}_10.6/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

scope_gnu_12.2_abipy.ac9

```shell

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

* : look for MPI in the 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=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}_10.6/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}_10.6/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}_10.6/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

Enable memory profiling (waroquiers)

enable_memory_profiling=”no”

```

eos_nvhpc_23.9_elpa.ac9

```shell

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}”

Forced Fortran linker libraries

Note: will override build-system configuration - USE AT YOUR OWN RISKS!

FC_LIBS=”-lstdc++ -ldl -lhwloc”

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

* : look for MPI in the 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 NVIDIA CUDA libraries and compilers

Permitted values:

* no : disable CUDA support

* yes : enable CUDA support, assuming the build environment

is properly set

* : look for CUDA in the directory

Note: The build system expects to find subdirectories named bin/, lib/,

include/ under the prefix.

with_cuda=”$CUDA_INSTALL_PATH”

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)

- gfx90a (AMD Instinct MI250)

GPU_ARCH=”80”

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\({MKLROOT}/include -I\)“

Fortran flags for linear algebra (default is unset)

LINALG_FCFLAGS=”-I\({MKLROOT}/include -I\)”} -I${ELPA_FC_INC

Library flags for linear algebra (default is unset)

LINALG_LIBS=”-L\({MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_pgi_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -pgf90libs -mp -lpthread -lm -ldl -L\) -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=”\({FALLBACKS_HOME}/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}/\)/netcdf4_fortran/4.6.2”

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_intel_2023_cmake.ac9

```shell

Reduce AVX optimizations in sensitive subprograms (default is no)

enable_avx_safe_mode=”no”

C preprocessor (should not be set in most cases)

CPP=”icpx -E”

C compiler

CC=”mpiicx -cc=icx”

C++ compiler

CXX=”mpiicpx”

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

* : look for MPI in the 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\({MKLROOT}/include -I\)“

Fortran flags for linear algebra (default is unset)

LINALG_FCFLAGS=”-I\({MKLROOT}/include -I\)”} -I${ELPA_FC_INC

Library flags for linear algebra (default is unset)

LINALG_LIBS=”-L\({MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -L\) -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=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

Allow Fortran programs to call Python

enable_python_invocation=”yes”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

alps_nag_7.2_serial.ac9

```shell

Forced C compiler flags

Note: will override build-system configuration - USE AT YOUR OWN RISKS!

CFLAGS=”-lcurl”

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”-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

* : look for MPI in the 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=”netlib”

Library flags for linear algebra (default is unset)

LINALG_LIBS=”-L/usr/local/lapack-3.10_nag7.2 -llapack -lrefblas -lpthread -lm”

Trigger and install prefix for LibXC (default is unset)

with_libxc=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

```

manneback_gnu_14.2_hpc.ac9

```shell

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

* : look for MPI in the 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 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”

Enable OpenMP (gmatteo, torrent)

enable_openmp=”no”

```

bob_gnu_13.2_openmp.ac9

```shell

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”-fopenmp -I/usr/lib64/gfortran/modules”

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

* : look for MPI in the 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”

```

alps_gnu_9.5_sdebug.ac9

```shell

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”

C compiler additional custom flags

CFLAGS_EXTRA=”-lcurl”

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”-Wall -fbacktrace -lcurl”

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

* : look for MPI in the 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/lib -lscalapack -L/usr/local/OpenBLAS-0.3.28/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=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for LibXML2 (default is unset)

with_libxml2=”no”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

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”

```

minimac_gnu_13.2_homebrew.ac9

```shell

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”

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

* : look for MPI in the 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”

```

eos_gnu_13.2_serial.ac9

```shell

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,no-pointer -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

* : look for MPI in the 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=”\({FALLBACKS_HOME}/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

scope_gnu_10.2_s64.ac9

```shell

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

* : look for MPI in the 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=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}_10.6/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}_10.6/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}_10.6/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

haicgu_gnu_14.1_hpc.ac9

```shell

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=”custom”

C compiler

CC=”${EBROOTOPENMPI}/bin/mpicc”

C++ compiler

CXX=”${EBROOTOPENMPI}/bin/mpicxx”

Fortran compiler

FC=”${EBROOTOPENMPI}/bin/mpif90”

Fortran compiler custom optimization flags (when with_optim_flavor=custom)

FCFLAGS_OPTIM=”-O2 -fallow-argument-mismatch”

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

* : look for MPI in the 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 the MPI_IN_PLACE option whenever possible (default is no)

WARNING: this feature requires MPI2, ignored if the MPI library

is not MPI2 compliant.

enable_mpi_inplace=”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=”netlib+openblas”

Fortran flags for linear algebra (default is unset)

LINALG_FCFLAGS=”-I${EBROOTSCALAPACK}/include”

Library flags for linear algebra (default is unset)

LINALG_LIBS=”-L${EBROOTSCALAPACK}/lib -lopenblas -lscalapack”

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${EBROOTFFTWMPI}/include”

Library flags for the FFTW3 library (default is unset)

FFTW3_LIBS=”-L${EBROOTFFTWMPI}/lib -lfftw3 -lfftw3f -lfftw3_mpi -lfftw3f_mpi”

Trigger and install prefix for LibXC (default is unset)

with_libxc=”yes”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”${EBROOTHDF5}”

Location of the h5cc (or h5pcc) compiler (default is unset)

Note: This parameter can greatly help the build system of ABINIT in

selecting the correct version of HDF5.

H5CC=”${EBROOTHDF5}/bin/h5pcc

with_libxc = ${EBROOTLIBXC}”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”${EBROOTNETCDF}”

Trigger and install prefix for NetCDF-Fortran (default is unset)

with_netcdf_fortran=”${EBROOTNETCDFMINFORTRAN}”

Enable OpenMP (gmatteo, torrent)

enable_openmp=”no”

```

eos_gnu_13.2_serialT.ac9

```shell

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,no-pointer -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

* : look for MPI in the 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=”\({FALLBACKS_HOME}/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

atlas_gnu_14.2_openmp.ac9

```shell

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”-fopenmp -I/usr/lib64/gfortran/modules”

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

* : look for MPI in the 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”

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”

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_24.9_openmpi.ac9

```shell

Reduce AVX optimizations in sensitive subprograms (default is no)

enable_avx_safe_mode=”no”

C compiler

CC=”mpicc”

C compiler additional custom flags

CFLAGS_EXTRA=”-lcurl”

C++ compiler

CXX=”mpicxx”

Fortran compiler

FC=”mpifort”

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”-lcurl -traceback”

Forced Fortran linker libraries

Note: will override build-system configuration - USE AT YOUR OWN RISKS!

FC_LIBS=”-lstdc++ -ldl -lhwloc”

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

* : look for MPI in the 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 NVIDIA CUDA libraries and compilers

Permitted values:

* no : disable CUDA support

* yes : enable CUDA support, assuming the build environment

is properly set

* : look for CUDA in the directory

Note: The build system expects to find subdirectories named bin/, lib/,

include/ under the prefix.

with_cuda=”$CUDA_INSTALL_PATH”

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)

- gfx90a (AMD Instinct MI250)

GPU_ARCH=”80”

Enable Unified Memory for NVIDIA GPUs (exclusive to NVHPC)

enable_gpu_nvidia_unified_memory=”no”

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”

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_pgi_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -pgf90libs -mp -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=”\({FALLBACKS_HOME}/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}/\)/netcdf4_fortran/4.6.2”

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”

```

scope_gnu_10.2_paral.ac9

```shell

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

* : look for MPI in the 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\({FALLBACKS_HOME}_10.6/\)/bigdft/abinit-1.7.1.32/include”

Library flags for BigDFT (default is unset)

BIGDFT_LIBS=”-L\({FALLBACKS_HOME}_10.6/\)/bigdft/abinit-1.7.1.32/lib -lbigdft-1 -labinit -lpaw_bigdft -lyaml -lrt”

Trigger and install prefix for LibXC (default is unset)

with_libxc=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}_10.6/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}_10.6/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}_10.6/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”no”

```

alps_intel_2025_elpa.ac9

```shell

C compiler

CC=”/opt/intel/oneapi/2025.0/bin/mpiicc -cc=/opt/intel/oneapi/2025.0/bin/icx”

C++ compiler

CXX=”/opt/intel/oneapi/2025.0/bin/mpiicpx -cc=/opt/intel/oneapi/2025.0/bin/icpx”

Fortran compiler

FC=”/opt/intel/oneapi/2025.0/bin/mpiifort -fc=/opt/intel/oneapi/2025.0/bin/ifx”

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”-traceback -debug none -O2”

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

* : look for MPI in the 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=”${I_MPI_ROOT}”

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\({MKLROOT}/include -I\)“

Fortran flags for linear algebra (default is unset)

LINALG_FCFLAGS=”-I\({MKLROOT}/include -I\)”} -I${ELPA_FC_INC

Library flags for linear algebra (default is unset)

LINALG_LIBS=”-L\({MKLROOT}/lib -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -lcurl -L\) -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=”\({FALLBACKS_HOME}/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}/\)/netcdf4_fortran/4.6.2”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

alps_nag_7.2_openmpi.ac9

```shell

Forced C compiler flags

Note: will override build-system configuration - USE AT YOUR OWN RISKS!

CFLAGS=”-lcurl”

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”-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

* : look for MPI in the 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/lapack-3.10_nag7.2 -llapack -lrefblas -lpthread -lm”

Trigger and install prefix for LibXC (default is unset)

with_libxc=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for LibXML2 (default is unset)

with_libxml2=”yes”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

alps_gnu_14.2_cov.ac9

```shell

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”–coverage -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

* : look for MPI in the 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\({FALLBACKS_HOME}_10.6/\)/bigdft/abinit-1.7.1.32/include”

Library flags for BigDFT (default is unset)

BIGDFT_LIBS=”-L\({FALLBACKS_HOME}_10.6/\)/bigdft/abinit-1.7.1.32/lib -lbigdft-1 -labinit -lpaw_bigdft -lyaml -lrt”

Trigger and install prefix for LibXC (default is unset)

with_libxc=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}_10.6/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}_10.6/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}_10.6/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

```

atlas_gnu_14.2_triqs.ac9

```shell

Fortran compiler additional custom flags

FCFLAGS_EXTRA=”-I/usr/lib64/gfortran/modules -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

* : look for MPI in the 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”

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_gf_lp64 -lmkl_sequential -lmkl_core -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=”/usr/local/fallbacks_10.6/gnu/14.6/triqs/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”/usr/lib64”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”/usr/lib64”

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=”/usr/lib64”

Trigger and install prefix for TRIQS (default is unset)

with_triqs=”yes”

```

scope_gnu_12.2_mpich.ac9

```shell

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

* : look for MPI in the 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=”\({FALLBACKS_HOME}_10.6/\)/libxc/7.0.0”

Trigger and install prefix for HDF5 (default is unset)

with_hdf5=”\({FALLBACKS_HOME}_10.6/\)/hdf5/1.14.6”

Trigger and install prefix for NetCDF (default is unset)

with_netcdf=”\({FALLBACKS_HOME}_10.6/\)/netcdf4/4.9.3”

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=”\({FALLBACKS_HOME}_10.6/\)/netcdf4_fortran/4.6.2”

Enable LibPSML support (default is no)

with_libpsml=”\({FALLBACKS_HOME}_10.6/\)/libpsml/2.1.0”

Enable Wannier90 support (default is no)

with_wannier90=”\({FALLBACKS_HOME}_10.6/\)/wannier90/2.0.1.1”

Enable XMLF90 support (default is no)

with_xmlf90=”\({FALLBACKS_HOME}_10.6/\)/xmlf90/1.6.3”

Enable double precision for GW calculations (gmatteo)

enable_gw_dpc=”yes”

Enable memory profiling (waroquiers)

enable_memory_profiling=”yes”

```