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| author | Simon Pintarelli <1237199+simonpintarelli@users.noreply.github.com> | 2022-09-12 16:56:14 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2022-09-12 16:56:14 +0200 |
| commit | cb3b5fb71627f461fe760413bf9f375f196df288 (patch) | |
| tree | fb883af3c6cea5bf757eb9485383d4af5a596bf8 | |
| parent | e5dcc43b579d15cdcecc14a01c88d85f3eee7448 (diff) | |
| download | spack-cb3b5fb71627f461fe760413bf9f375f196df288.tar.gz spack-cb3b5fb71627f461fe760413bf9f375f196df288.tar.bz2 spack-cb3b5fb71627f461fe760413bf9f375f196df288.tar.xz spack-cb3b5fb71627f461fe760413bf9f375f196df288.zip | |
sirius: new version, libsci supports (#32443)
| -rw-r--r-- | var/spack/repos/builtin/packages/sirius/package.py | 15 |
1 files changed, 9 insertions, 6 deletions
diff --git a/var/spack/repos/builtin/packages/sirius/package.py b/var/spack/repos/builtin/packages/sirius/package.py index 449a7dd464..e7bff12f57 100644 --- a/var/spack/repos/builtin/packages/sirius/package.py +++ b/var/spack/repos/builtin/packages/sirius/package.py @@ -21,6 +21,8 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): version("develop", branch="develop") version("master", branch="master") + version("7.3.2", sha256="a256508de6b344345c295ad8642dbb260c4753cd87cc3dd192605c33542955d7") + version("7.3.1", sha256="8bf9848b8ebf0b43797fd359adf8c84f00822de4eb677e3049f22baa72735e98") version("7.3.0", sha256="69b5cf356adbe181be6c919032859c4e0160901ff42a885d7e7ea0f38cc772e2") version("7.2.7", sha256="929bf7f131a4847624858b9c4295532c24b0c06f6dcef5453c0dfc33fb78eb03") version("7.2.6", sha256="e751fd46cdc7c481ab23b0839d3f27fb00b75dc61dc22a650c92fe8e35336e3a") @@ -213,6 +215,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): conflicts("+boost_filesystem", when="~apps") conflicts("^libxc@5.0.0") # known to produce incorrect results conflicts("+single_precision", when="@:7.2.4") + conflicts("+scalapack", when="^cray-libsci") # Propagate openmp to blas depends_on("openblas threads=openmp", when="+openmp ^openblas") @@ -223,12 +226,9 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): depends_on("elpa+openmp", when="+elpa+openmp") depends_on("elpa~openmp", when="+elpa~openmp") - depends_on("eigen@3.4.0:", when="@7.4: +tests") + depends_on("eigen@3.4.0:", when="@7.3.2: +tests") - depends_on("costa+shared", when="@7.4:") - - # TODO: - # add support for CRAY_LIBSCI, testing + depends_on("costa+shared", when="@7.3.2:") patch("strip-spglib-include-subfolder.patch", when="@6.1.5") patch("link-libraries-fortran.patch", when="@6.1.5") @@ -290,7 +290,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): ] ) - if "+scalapack" in spec: + if "+scalapack" in spec and "^cray-libsci" not in spec: args.extend( [ self.define("SCALAPACK_FOUND", "true"), @@ -299,6 +299,9 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): ] ) + if "^cray-libsci" in spec: + args.append(self.define("USE_CRAY_LIBSCI", "ON")) + if spec["blas"].name in ["intel-mkl", "intel-parallel-studio"]: args.append(self.define("USE_MKL", "ON")) |