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abinit: add v9.10.3 (#40919)

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* 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 <hi@alecbcs.com>
This commit is contained in:
downloadico
2023-11-08 11:15:49 -07:00
committed by GitHub
parent b0355d6cc0
commit 4ac0e511ad
1 changed files with 16 additions and 3 deletions
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19
var/spack/repos/builtin/packages/abinit/package.py
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@@ -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