spack/var/spack/repos/builtin/packages/namd/inherited-member-2.14.patch
Scott McMillan 0015dd0bf8
Enable packages to use the NVIDIA HPC SDK (#19452)
* Enable packages to use the NVIDIA HPC SDK

* fix linter and review items

* fix linter issue

Co-authored-by: Scott McMillan <smcmillan@nvidia.com>
2020-10-22 16:42:48 -05:00

17 lines
499 B
Diff

--- a/src/colvarproxy_namd.C 2020-10-02 15:11:37.205197956 -0700
+++ b/src/colvarproxy_namd.C 2020-10-02 15:11:47.865071117 -0700
@@ -94,12 +94,11 @@
"the output restart file could be defined, exiting.\n");
}
+ init_tcl_pointers();
#ifdef NAMD_TCL
have_scripts = true;
- init_tcl_pointers();
-
// See is user-scripted forces are defined
if (Tcl_FindCommand(reinterpret_cast<Tcl_Interp *>(tcl_interp_),
"calc_colvar_forces", NULL, 0) == NULL) {