diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/namd/package.py | 13 |
1 files changed, 11 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/namd/package.py b/var/spack/repos/builtin/packages/namd/package.py index e0e8c8c640..c07c99a159 100644 --- a/var/spack/repos/builtin/packages/namd/package.py +++ b/var/spack/repos/builtin/packages/namd/package.py @@ -23,6 +23,10 @@ class Namd(MakefilePackage, CudaPackage): version("master", branch="master") version("2.15a1", branch="master", tag="release-2-15-alpha-1") + # Same as above, but lets you use a local file instead of git + version( + "2.15a1.manual", sha256="474006e98e32dddae59616b3b75f13a2bb149deaf7a0d617ce7fb9fd5a56a33a" + ) version( "2.14", sha256="34044d85d9b4ae61650ccdba5cda4794088c3a9075932392dd0752ef8c049235", @@ -62,7 +66,7 @@ class Namd(MakefilePackage, CudaPackage): depends_on("amdfftw", when="fftw=amdfftw") - depends_on("intel-mkl", when="fftw=mkl") + depends_on("mkl", when="fftw=mkl") depends_on("tcl", when="interface=tcl") @@ -87,7 +91,12 @@ class Namd(MakefilePackage, CudaPackage): if lib != "python": self._copy_arch_file(lib) spec = self.spec - opts.extend(["--with-{0}".format(lib), "--{0}-prefix".format(lib), spec[lib].prefix]) + lib_prefix = ( + spec[lib].package.component_prefix + if spec[lib].name == "intel-oneapi-mkl" + else spec[lib].prefix + ) + opts.extend(["--with-{0}".format(lib), "--{0}-prefix".format(lib), lib_prefix]) @property def arch(self): |