namd: latest version 2.14 (#18167)

* upgrade to version 2.14; added target architecture optimization

* renamed devel-> (adamjstuart); keep 2.14bx versions

Co-authored-by: lu64bag3 <gerald.mathias@lrz.de>

var/spack/repos/builtin/packages/namd/package.py

@@ -18,10 +18,12 @@ class Namd(MakefilePackage):
     git      = "https://charm.cs.illinois.edu/gerrit/namd.git"
     manual_download = True
 
-    version("develop", branch="master")
+    version("master", branch="master")
+    version('2.14', sha256='34044d85d9b4ae61650ccdba5cda4794088c3a9075932392dd0752ef8c049235',
+            preferred=True)
     version('2.14b2', sha256='cb4bd918d2d545bb618e4b4a20023a53916f0aa362d9e57f3de1562c36240b00')
     version('2.14b1', sha256='9407e54f5271b3d3039a5a9d2eae63c7e108ce31b7481e2197c19e1125b43919')
-    version('2.13', '9e3323ed856e36e34d5c17a7b0341e38', preferred=True)
+    version('2.13', '9e3323ed856e36e34d5c17a7b0341e38')
     version('2.12', '2a1191909b1ab03bf0205971ad4d8ee9')
 
     variant('fftw', default='3', values=('none', '2', '3', 'mkl'),
@@ -30,7 +32,7 @@ class Namd(MakefilePackage):
     variant('interface', default='none', values=('none', 'tcl', 'python'),
             description='Enables TCL and/or python interface')
 
-    depends_on('charmpp@6.10.1:', when="@2.14b1:")
+    depends_on('charmpp@6.10.1:', when="@2.14:")
     depends_on('charmpp@6.8.2', when="@2.13")
     depends_on('charmpp@6.7.1', when="@2.12")
 
@@ -81,16 +83,19 @@ def edit(self, spec, prefix):
                 # this options are take from the default provided
                 # configuration files
                 # https://github.com/UIUC-PPL/charm/pull/2778
+                archopt = spec.target.optimization_flags(
+                    spec.compiler.name, spec.compiler.version)
+
                 if self.spec.satisfies('^charmpp@:6.10.1'):
                     optims_opts = {
                         'gcc': m64 + '-O3 -fexpensive-optimizations \
-                                -ffast-math -lpthread',
-                        'intel': '-O2 -ip'}
+                                -ffast-math -lpthread ' + archopt,
+                        'intel': '-O2 -ip ' + archopt}
                 else:
                     optims_opts = {
                         'gcc': m64 + '-O3 -fexpensive-optimizations \
-                                -ffast-math',
-                        'intel': '-O2 -ip'}
+                                -ffast-math ' + archopt,
+                        'intel': '-O2 -ip ' + archopt}
 
                 optim_opts = optims_opts[self.compiler.name] \
                     if self.compiler.name in optims_opts else ''