diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/abinit/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/abinit/package.py | 79 |
1 files changed, 33 insertions, 46 deletions
diff --git a/var/spack/repos/builtin/packages/abinit/package.py b/var/spack/repos/builtin/packages/abinit/package.py index 445fc60bbe..a343bf69d7 100644 --- a/var/spack/repos/builtin/packages/abinit/package.py +++ b/var/spack/repos/builtin/packages/abinit/package.py @@ -101,11 +101,7 @@ class Abinit(AutotoolsPackage): # TODO: The logic here can be reversed with the new concretizer. Instead of # using `conflicts`, `depends_on` could be used instead. for fftw in ["amdfftw", "cray-fftw", "fujitsu-fftw", "fftw"]: - conflicts( - "+openmp", - when="^{0}~openmp".format(fftw), - msg="Need to request {0} +openmp".format(fftw), - ) + conflicts("+openmp", when=f"^{fftw}~openmp", msg=f"Need to request {fftw} +openmp") mkl_message = "Need to set dependent variant to threads=openmp" conflicts("+openmp", when="^intel-mkl threads=none", msg=mkl_message) @@ -137,34 +133,28 @@ class Abinit(AutotoolsPackage): oapp = options.append if "@:8" in spec: - oapp("--enable-optim={0}".format(self.spec.variants["optimization-flavor"].value)) + oapp(f"--enable-optim={self.spec.variants['optimization-flavor'].value}") else: - oapp("--with-optim-flavor={0}".format(self.spec.variants["optimization-flavor"].value)) + oapp(f"--with-optim-flavor={self.spec.variants['optimization-flavor'].value}") if "+wannier90" in spec: if "@:8" in spec: - oapp( - "--with-wannier90-libs=-L{0}".format( - spec["wannier90"].prefix.lib + " -lwannier -lm" - ) - ) - oapp("--with-wannier90-incs=-I{0}".format(spec["wannier90"].prefix.modules)) - oapp("--with-wannier90-bins={0}".format(spec["wannier90"].prefix.bin)) + oapp(f"--with-wannier90-libs=-L{spec['wannier90'].prefix.lib} -lwannier -lm") + oapp(f"--with-wannier90-incs=-I{spec['wannier90'].prefix.modules}") + oapp(f"--with-wannier90-bins={spec['wannier90'].prefix.bin}") oapp("--enable-connectors") oapp("--with-dft-flavor=atompaw+libxc+wannier90") else: options.extend( [ - "WANNIER90_CPPFLAGS=-I{0}".format(spec["wannier90"].prefix.modules), - "WANNIER90_LIBS=-L{0} {1}".format( - spec["wannier90"].prefix.lib, "-lwannier" - ), + f"WANNIER90_CPPFLAGS=-I{spec['wannier90'].prefix.modules}", + f"WANNIER90_LIBS=-L{spec['wannier90'].prefix.lib} -lwannier", ] ) else: if "@:9.8" in spec: - oapp("--with-fftw={0}".format(spec["fftw-api"].prefix)) - oapp("--with-hdf5={0}".format(spec["hdf5"].prefix)) + oapp(f"--with-fftw={spec['fftw-api'].prefix}") + oapp(f"--with-hdf5={spec['hdf5'].prefix}") if "@:8" in spec: oapp("--with-dft-flavor=atompaw+libxc") @@ -172,9 +162,9 @@ class Abinit(AutotoolsPackage): "--without-wannier90", if "+mpi" in spec: - oapp("CC={0}".format(spec["mpi"].mpicc)) - oapp("CXX={0}".format(spec["mpi"].mpicxx)) - oapp("FC={0}".format(spec["mpi"].mpifc)) + oapp(f"CC={spec['mpi'].mpicc}") + oapp(f"CXX={spec['mpi'].mpicxx}") + oapp(f"FC={spec['mpi'].mpifc}") # MPI version: # let the configure script auto-detect MPI support from mpi_prefix @@ -208,14 +198,14 @@ class Abinit(AutotoolsPackage): if "+scalapack" in spec: linalg = spec["scalapack"].libs + linalg if "@:8" in spec: - linalg_flavor = "scalapack+{0}".format(linalg_flavor) + linalg_flavor = f"scalapack+{linalg_flavor}" if "@:8" in spec: - oapp("--with-linalg-libs={0}".format(linalg.ld_flags)) + oapp(f"--with-linalg-libs={linalg.ld_flags}") else: - oapp("LINALG_LIBS={0}".format(linalg.ld_flags)) + oapp(f"LINALG_LIBS={linalg.ld_flags}") - oapp("--with-linalg-flavor={0}".format(linalg_flavor)) + oapp(f"--with-linalg-flavor={linalg_flavor}") if "^mkl" in spec: fftflavor = "dfti" @@ -225,32 +215,32 @@ class Abinit(AutotoolsPackage): else: fftflavor, fftlibs = "fftw3", "-lfftw3 -lfftw3f" - oapp("--with-fft-flavor={0}".format(fftflavor)) + oapp(f"--with-fft-flavor={fftflavor}") if "@:8" in spec: if "^mkl" in spec: - oapp("--with-fft-incs={0}".format(spec["fftw-api"].headers.cpp_flags)) - oapp("--with-fft-libs={0}".format(spec["fftw-api"].libs.ld_flags)) + oapp(f"--with-fft-incs={spec['fftw-api'].headers.cpp_flags}") + oapp(f"--with-fft-libs={spec['fftw-api'].libs.ld_flags}") else: options.extend( [ - "--with-fft-incs={0}".format(spec["fftw-api"].headers.cpp_flags), - "--with-fft-libs=-L{0} {1}".format(spec["fftw-api"].prefix.lib, fftlibs), + f"--with-fft-incs={spec['fftw-api'].headers.cpp_flags}", + f"--with-fft-libs=-L{spec['fftw-api'].prefix.lib} {fftlibs}", ] ) else: if "^mkl" in spec: options.extend( [ - "FFT_CPPFLAGS={0}".format(spec["fftw-api"].headers.cpp_flags), - "FFT_LIBs={0}".format(spec["fftw-api"].libs.ld_flags), + f"FFT_CPPFLAGS={spec['fftw-api'].headers.cpp_flags}", + f"FFT_LIBs={spec['fftw-api'].libs.ld_flags}", ] ) else: options.extend( [ - "FFTW3_CPPFLAGS={0}".format(spec["fftw-api"].headers.cpp_flags), - "FFTW3_LIBS=-L{0} {1}".format(spec["fftw-api"].prefix.lib, fftlibs), + f"FFTW3_CPPFLAGS={spec['fftw-api'].headers.cpp_flags}", + f"FFTW3_LIBS=-L{spec['fftw-api'].prefix.lib} {fftlibs}", ] ) @@ -259,12 +249,12 @@ class Abinit(AutotoolsPackage): if "@:8" in spec: options.extend( [ - "--with-libxc-incs={0}".format(libxc.headers.cpp_flags), - "--with-libxc-libs={0}".format(libxc.libs.ld_flags + " -lm"), + f"--with-libxc-incs={libxc.headers.cpp_flags}", + f"--with-libxc-libs={libxc.libs.ld_flags + ' -lm'}", ] ) else: - oapp("--with-libxc={0}".format(libxc.prefix)) + oapp(f"--with-libxc={libxc.prefix}") # Netcdf4/HDF5 hdf5 = spec["hdf5:hl"] @@ -276,24 +266,21 @@ class Abinit(AutotoolsPackage): # to link with the high level HDF5 library options.extend( [ - "--with-netcdf-incs={0}".format( + "--with-netcdf-incs={}".format( netcdfc.headers.cpp_flags + " " + netcdff.headers.cpp_flags ), - "--with-netcdf-libs={0}".format( + "--with-netcdf-libs={}".format( netcdff.libs.ld_flags + " " + hdf5.libs.ld_flags ), ] ) else: options.extend( - [ - "--with-netcdf={0}".format(netcdfc.prefix), - "--with-netcdf-fortran={0}".format(netcdff.prefix), - ] + [f"--with-netcdf={netcdfc.prefix}", f"--with-netcdf-fortran={netcdff.prefix}"] ) if self.spec.satisfies("%fj"): - oapp("FCFLAGS_MODDIR=-M{0}".format(join_path(self.stage.source_path, "src/mods"))) + oapp(f"FCFLAGS_MODDIR=-M{join_path(self.stage.source_path, 'src/mods')}") return options |