From 4ac0e511ad6dee9f9941689e063b08fc511daa5a Mon Sep 17 00:00:00 2001 From: downloadico Date: Wed, 8 Nov 2023 11:15:49 -0700 Subject: [PATCH] abinit: add v9.10.3 (#40919) * abinit: add v9.10.3 Changed configure arguments for specfying how to use Wannier90 for versions after 9.8. When the mpi variant is requested, set the F90 environment variable to point to the MPI Fortran wrapper when building versions after 9.8 instead of FC. --------- Co-authored-by: Alec Scott --- .../repos/builtin/packages/abinit/package.py | 19 ++++++++++++++++--- 1 file changed, 16 insertions(+), 3 deletions(-) diff --git a/var/spack/repos/builtin/packages/abinit/package.py b/var/spack/repos/builtin/packages/abinit/package.py index a343bf69d7e..282c673bcc5 100644 --- a/var/spack/repos/builtin/packages/abinit/package.py +++ b/var/spack/repos/builtin/packages/abinit/package.py @@ -27,6 +27,8 @@ class Abinit(AutotoolsPackage): homepage = "https://www.abinit.org/" url = "https://www.abinit.org/sites/default/files/packages/abinit-8.6.3.tar.gz" + maintainers("downloadico") + version("9.10.3", sha256="3f2a9aebbf1fee9855a09dd687f88d2317b8b8e04f97b2628ab96fb898dce49b") version("9.8.4", sha256="a086d5045f0093b432e6a044d5f71f7edf5a41a62d67b3677cb0751d330c564a") version("9.8.3", sha256="de823878aea2c20098f177524fbb4b60de9b1b5971b2e835ec244dfa3724589b") version("9.6.1", sha256="b6a12760fd728eb4aacca431ae12150609565bedbaa89763f219fcd869f79ac6") @@ -138,19 +140,27 @@ def configure_args(self): oapp(f"--with-optim-flavor={self.spec.variants['optimization-flavor'].value}") if "+wannier90" in spec: - if "@:8" in spec: + if spec.satisfies("@:8"): 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: + elif spec.satisfies("@:9.8"): options.extend( [ f"WANNIER90_CPPFLAGS=-I{spec['wannier90'].prefix.modules}", f"WANNIER90_LIBS=-L{spec['wannier90'].prefix.lib} -lwannier", ] ) + else: + options.extend( + [ + f"WANNIER90_CPPFLAGS=-I{spec['wannier90'].prefix.modules}", + f"WANNIER90_LIBS=-L{spec['wannier90'].prefix.lib}" + "WANNIER90_LDFLAGS=-lwannier", + ] + ) else: if "@:9.8" in spec: oapp(f"--with-fftw={spec['fftw-api'].prefix}") @@ -164,7 +174,10 @@ def configure_args(self): if "+mpi" in spec: oapp(f"CC={spec['mpi'].mpicc}") oapp(f"CXX={spec['mpi'].mpicxx}") - oapp(f"FC={spec['mpi'].mpifc}") + if spec.satisfies("@9.8:"): + oapp(f"F90={spec['mpi'].mpifc}") + else: + oapp(f"FC={spec['mpi'].mpifc}") # MPI version: # let the configure script auto-detect MPI support from mpi_prefix