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| author | downloadico <download@carc.unm.edu> | 2023-03-21 11:09:38 -0600 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-03-21 10:09:38 -0700 |
| commit | 84ab72557ab3199038a12e3bb06b97d4477c2236 (patch) | |
| tree | a5f7eea030f1050c307272861ed01355f75c568b /var/spack/repos/builtin/packages/abinit/package.py | |
| parent | 1d62d9460d850559ce0f74a7693380e0ec09b390 (diff) | |
| download | spack-84ab72557ab3199038a12e3bb06b97d4477c2236.tar.gz spack-84ab72557ab3199038a12e3bb06b97d4477c2236.tar.bz2 spack-84ab72557ab3199038a12e3bb06b97d4477c2236.tar.xz spack-84ab72557ab3199038a12e3bb06b97d4477c2236.zip | |
Update abinit version (#36264)
* 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>
Diffstat (limited to 'var/spack/repos/builtin/packages/abinit/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/abinit/package.py | 8 |
1 files changed, 8 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/abinit/package.py b/var/spack/repos/builtin/packages/abinit/package.py index 81a82317ba..fbded80add 100644 --- a/var/spack/repos/builtin/packages/abinit/package.py +++ b/var/spack/repos/builtin/packages/abinit/package.py @@ -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 @@ class Abinit(AutotoolsPackage): ] ) 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: |