diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/lammps/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/lammps/package.py | 28 |
1 files changed, 14 insertions, 14 deletions
diff --git a/var/spack/repos/builtin/packages/lammps/package.py b/var/spack/repos/builtin/packages/lammps/package.py index be1697543e..7486b52721 100644 --- a/var/spack/repos/builtin/packages/lammps/package.py +++ b/var/spack/repos/builtin/packages/lammps/package.py @@ -844,12 +844,12 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): self.define("ENABLE_TESTING", self.run_tests), self.define("DOWNLOAD_POTENTIALS", False), ] - if "~kokkos" in spec: + if spec.satisfies("~kokkos"): # LAMMPS can be build with the GPU package OR the KOKKOS package # Using both in a single build is discouraged. # +cuda only implies that one of the two is used # by default it will use the GPU package if kokkos wasn't enabled - if "+cuda" in spec: + if spec.satisfies("+cuda"): args.append(self.define("PKG_GPU", True)) args.append(self.define("GPU_API", "cuda")) args.append(self.define_from_variant("GPU_PREC", "gpu_precision")) @@ -857,13 +857,13 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): if cuda_arch != "none": args.append(self.define("GPU_ARCH", "sm_{0}".format(cuda_arch[0]))) args.append(self.define_from_variant("CUDA_MPS_SUPPORT", "cuda_mps")) - elif "+opencl" in spec: + elif spec.satisfies("+opencl"): # LAMMPS downloads and bundles its own OpenCL ICD Loader by default args.append(self.define("USE_STATIC_OPENCL_LOADER", False)) args.append(self.define("PKG_GPU", True)) args.append(self.define("GPU_API", "opencl")) args.append(self.define_from_variant("GPU_PREC", "gpu_precision")) - elif "+rocm" in spec: + elif spec.satisfies("+rocm"): args.append(self.define("PKG_GPU", True)) args.append(self.define("GPU_API", "hip")) args.append(self.define_from_variant("GPU_PREC", "gpu_precision")) @@ -926,27 +926,27 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): # for transposing 3d FFT data. args.append(self.define("FFT_SINGLE", spec.satisfies("fftw_precision=single"))) - if "+user-adios" in spec or "+adios" in spec: + if spec.satisfies("+user-adios") or spec.satisfies("+adios"): args.append(self.define("ADIOS2_DIR", self.spec["adios2"].prefix)) - if "+user-plumed" in spec or "+plumed" in spec: + if spec.satisfies("+user-plumed") or spec.satisfies("+plumed"): args.append(self.define("DOWNLOAD_PLUMED", False)) if "+shared" in self.spec["plumed"]: args.append(self.define("PLUMED_MODE", "shared")) else: args.append(self.define("PLUMED_MODE", "static")) - if "+user-smd" in spec or "+machdyn" in spec: + if spec.satisfies("+user-smd") or spec.satisfies("+machdyn"): args.append(self.define("DOWNLOAD_EIGEN3", False)) args.append(self.define("EIGEN3_INCLUDE_DIR", self.spec["eigen"].prefix.include)) - if "+user-hdnnp" in spec or "+ml-hdnnp" in spec: + if spec.satisfies("+user-hdnnp") or spec.satisfies("+ml-hdnnp"): args.append(self.define("DOWNLOAD_N2P2", False)) args.append(self.define("N2P2_DIR", self.spec["n2p2"].prefix)) - if "+rocm" in spec: + if spec.satisfies("+rocm"): args.append(self.define("CMAKE_CXX_COMPILER", spec["hip"].hipcc)) - if "@:20231121" in spec: - if "^hip@:5.4" in spec: + if spec.satisfies("@:20231121"): + if spec.satisfies("^hip@:5.4"): args.append(self.define("HIP_PATH", f"{spec['hip'].prefix}/hip")) - elif "^hip@5.5:" in spec: + elif spec.satisfies("^hip@5.5:"): args.append(self.define("HIP_PATH", spec["hip"].prefix)) return args @@ -957,14 +957,14 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): def setup_run_environment(self, env): env.set("LAMMPS_POTENTIALS", self.prefix.share.lammps.potentials) - if "+python" in self.spec: + if self.spec.satisfies("+python"): if self.spec.platform == "darwin": env.prepend_path("DYLD_FALLBACK_LIBRARY_PATH", self.prefix.lib) env.prepend_path("DYLD_FALLBACK_LIBRARY_PATH", self.prefix.lib64) else: env.prepend_path("LD_LIBRARY_PATH", self.prefix.lib) env.prepend_path("LD_LIBRARY_PATH", self.prefix.lib64) - if "+plugin" in self.spec: + if self.spec.satisfies("+plugin"): env.prepend_path("LAMMPS_PLUGIN_PATH", self.prefix.lib.lammps.plugins) env.prepend_path("LAMMPS_PLUGIN_PATH", self.prefix.lib64.lammps.plugins) |