diff --git a/var/spack/repos/builtin/packages/lammps/package.py b/var/spack/repos/builtin/packages/lammps/package.py index 5648ea4f5f4..16929957c98 100644 --- a/var/spack/repos/builtin/packages/lammps/package.py +++ b/var/spack/repos/builtin/packages/lammps/package.py @@ -399,7 +399,7 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): depends_on("cxx", type="build") - # scafacos, ml-quip, qmmm require C, but not available in Spack + # ml-quip, qmmm require C, but not available in Spack for c_pkg in ( "adios", "atc", @@ -407,15 +407,15 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension): "electrode", "h5md", "kim", - "mdi", "ml-pod", "rheo", + "scafacos", "tools", ): depends_on("c", type="build", when=f"+{c_pkg}") - # scafacos, ml-quip require Fortran, but not available in Spack - for fc_pkg in ("kim",): + # ml-quip require Fortran, but not available in Spack + for fc_pkg in ("kim", "scafacos"): depends_on("fortran", type="build", when=f"+{fc_pkg}") stable_versions = { @@ -543,6 +543,7 @@ def url_for_version(self, version): "rheo": {"when": "@20240829:"}, "replica": {}, "rigid": {"default": True}, + "scafacos": {"when": "@20210702:"}, "shock": {}, "smtbq": {"when": "@20210702:"}, "snap": {"when": "@:20210527"}, @@ -596,9 +597,7 @@ def url_for_version(self, version): "vtk": {"when": "@20210702:"}, "yaff": {"when": "@20210702:"}, # "ml-quip": {"when": "@20210702:"}, no quip package - # "scafacos": {"when": "@20210702:"}, no scafacos package # "user-quip": {"when": "@20190201:20210527"}, no quip package - # "user-scafacos": {"when": "@20180905:20210527"}, no scafacos package } for pkg_name, pkg_options in supported_packages.items(): @@ -741,6 +740,8 @@ def url_for_version(self, version): with when(_n2p2_cond): depends_on("n2p2@2.1.4:") depends_on("n2p2+shared", when="+lib") + depends_on("scafacos", when="+scafacos") + depends_on("scafacos cflags=-fPIC cxxflags=-fPIC fflags=-fPIC", when="+scafacos+lib") depends_on("vtk", when="+user-vtk") depends_on("vtk", when="+vtk") depends_on("hipcub", when="~kokkos +rocm")