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Update abinit version (#36264)

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* abinit: add version 9.8.3
* require hdf5 up to 1.8 and libxc up to version 5
* abinit: constrained versions of libxc and hdf5
* fixed bad syntax for format
* fixed error looking for fftw in spec.
* Changed to look for fftw-api in spec.
* Update var/spack/repos/builtin/packages/abinit/package.py

---------

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
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downloadico 2023-03-21 11:09:38 -06:00 committed by GitHub
parent 1d62d9460d
commit 84ab72557a
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var/spack/repos/builtin/packages/abinit/package.py
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@ -27,6 +27,7 @@ class Abinit(AutotoolsPackage):
homepage = "https://www.abinit.org/"
url = "https://www.abinit.org/sites/default/files/packages/abinit-8.6.3.tar.gz"
version("9.8.3", sha256="65fb93217336a72d1554cc6991127203958cc7df59921782251a86569e33a357")
version("9.6.1", sha256="b6a12760fd728eb4aacca431ae12150609565bedbaa89763f219fcd869f79ac6")
version("9.4.2", sha256="d40886f5c8b138bb4aa1ca05da23388eb70a682790cfe5020ecce4db1b1a76bc")
version("8.10.3", sha256="ed626424b4472b93256622fbb9c7645fa3ffb693d4b444b07d488771ea7eaa75")
@ -71,11 +72,14 @@ class Abinit(AutotoolsPackage):
depends_on("netcdf-c~mpi", when="~mpi")
depends_on("hdf5+mpi", when="+mpi")
depends_on("hdf5~mpi", when="~mpi")
# constrain version of hdf5
depends_on("hdf5@:1.8", when="@9:")
depends_on("wannier90+shared", when="+wannier90+mpi")
# constrain libxc version
depends_on("libxc")
depends_on("libxc@:2", when="@:8")
depends_on("libxc@:5", when="@9.8:")
# libxml2
depends_on("libxml2", when="@9:+libxml2")
@ -157,6 +161,10 @@ def configure_args(self):
]
)
else:
if "@:9.8" in spec:
oapp("--with-fftw={0}".format(spec["fftw-api"].prefix))
oapp("--with-hdf5={0}".format(spec["hdf5"].prefix))
if "@:8" in spec:
oapp("--with-dft-flavor=atompaw+libxc")
else: