zhangyiss/spack
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

gromacs: oneapi does not always require gcc (#47679)

Browse Source 
* gromacs: oneapi does not always require gcc

* Support intel_provided_gcc only with %intel classic compiler

Require gcc only when needed with %intel

* New approach depending on gcc-runtime directly

* Update var/spack/repos/builtin/packages/gromacs/package.py

Co-authored-by: Christoph Junghans <christoph.junghans@gmail.com>

---------

Co-authored-by: Christoph Junghans <christoph.junghans@gmail.com>
This commit is contained in:
Mark Abraham 2024-11-22 14:33:30 +01:00 committed by GitHub
parent ed1dbea77b
commit 559c2f1eb9
No known key found for this signature in database
GPG Key ID: B5690EEEBB952194
1 changed files with 8 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

10
var/spack/repos/builtin/packages/gromacs/package.py
View File

@ -310,8 +310,14 @@ class Gromacs(CMakePackage, CudaPackage):
depends_on("sycl", when="+sycl")
depends_on("lapack")
depends_on("blas")
depends_on("gcc", when="%oneapi ~intel_provided_gcc")
depends_on("gcc", when="%intel ~intel_provided_gcc")
# TODO this can be expanded to all clang-based compilers once
# the principle is demonstrated to work
with when("%oneapi ~intel_provided_gcc"):
depends_on("gcc-runtime@5:", when="@2020")
depends_on("gcc-runtime@7:", when="@2021:2022")
depends_on("gcc-runtime@9:", when="@2023:2024")
depends_on("gcc-runtime@11:", when="@2025:")
depends_on("hwloc@1.0:1", when="+hwloc@2016:2018")
depends_on("hwloc", when="+hwloc@2019:")
@ -540,7 +546,7 @@ def cmake_args(self):
):
with open(".".join([os.environ["SPACK_CXX"], "cfg"]), "r") as f:
options.append("-DCMAKE_CXX_FLAGS={}".format(f.read()))
else:
elif self.spec.satisfies("^gcc"):
options.append("-DGMX_GPLUSPLUS_PATH=%s/g++" % self.spec["gcc"].prefix.bin)
if self.spec.satisfies("+double"):