gromacs-chain-coordinate: inherit from gromacs package (#27246)

1 files changed, 15 insertions, 53 deletions

diff --git a/var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py b/var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py
index e36660aba4..37be793c1a 100644
--- a/var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py
+++ b/var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py
@@ -3,18 +3,10 @@
 #
 # SPDX-License-Identifier: (Apache-2.0 OR MIT)
 
-# This is a partial copy of Spack Gromacs package
-# - modified URL and versions
-# - removed Plumed patches
-# - calling original patch and cmake-related procedures to not duplicate them
-# - simplified variants/dependencies because this fork starts at Gromacs 2021
+from spack.pkg.builtin.gromacs import Gromacs
 
-import os
 
-from spack.pkg.builtin.gromacs import Gromacs as BuiltinGromacs
-
-
-class GromacsChainCoordinate(CMakePackage):
+class GromacsChainCoordinate(Gromacs):
     """
     A modification of GROMACS that implements the "chain coordinate", a reaction
     coordinate for pore formation in membranes and stalk formation between membranes.
@@ -26,57 +18,27 @@ class GromacsChainCoordinate(CMakePackage):
     maintainers = ['w8jcik']
 
     version('main', branch='main')
+
     version('2021.2-0.1', sha256="879fdd04662370a76408b72c9fbc4aff60a6387b459322ac2700d27359d0dd87",
             url="https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.1/gromacs-chain-coordinate-release-2021.chaincoord-0.1.tar.bz2",
             preferred=True)
 
-    variant('mpi', default=True,
-            description='Activate MPI support (disable for Thread-MPI support)')
-    variant('shared', default=True,
-            description='Enables the build of shared libraries')
-    variant(
-        'double', default=False,
-        description='Produces a double precision version of the executables')
-    variant('cuda', default=False, description='Enable CUDA support')
-    variant('opencl', default=False, description='Enable OpenCL support')
-    variant('sycl', default=False, description='Enable SYCL support')
-    variant('nosuffix', default=False, description='Disable default suffixes')
-    variant('build_type', default='RelWithDebInfo',
-            description='The build type to build',
-            values=('Debug', 'Release', 'RelWithDebInfo', 'MinSizeRel',
-                    'Reference', 'RelWithAssert', 'Profile'))
-    variant('openmp', default=True,
-            description='Enables OpenMP at configure time')
-    variant('hwloc', default=True,
-            description='Use the hwloc portable hardware locality library')
-    variant('lapack', default=False,
-            description='Enables an external LAPACK library')
-    variant('blas', default=False,
-            description='Enables an external BLAS library')
-    variant('cycle_subcounters', default=False,
-            description='Enables cycle subcounters')
+    conflicts('+plumed')
 
-    depends_on('mpi', when='+mpi')
-    depends_on('fftw-api@3')
-    depends_on('cmake@3.16.0:3', type='build')
-    depends_on('cuda', when='+cuda')
-    depends_on('sycl', when='+sycl')
-    depends_on('lapack', when='+lapack')
-    depends_on('blas', when='+blas')
-    depends_on('hwloc', when='+hwloc')
+    def remove_parent_versions(self):
+        """
+        By inheriting GROMACS package we also inherit versions.
+        They are not valid, so we are removing them.
+        """
 
-    filter_compiler_wrappers(
-        '*.cmake',
-        relative_root=os.path.join('share', 'cmake', 'gromacs_mpi'))
-    filter_compiler_wrappers(
-        '*.cmake',
-        relative_root=os.path.join('share', 'cmake', 'gromacs'))
+        for version_key in Gromacs.versions.keys():
+            if version_key in self.versions:
+                del self.versions[version_key]
 
-    def patch(self):
-        BuiltinGromacs.patch(self)
+    def __init__(self, spec):
+        super(GromacsChainCoordinate, self).__init__(spec)
 
-    def cmake_args(self):
-        return super(GromacsChainCoordinate, self).cmake_args()
+        self.remove_parent_versions()
 
     def check(self):
         """The default 'test' targets does not compile the test programs"""