diff --git a/doc/src/Commands_fix.rst b/doc/src/Commands_fix.rst index 58fda862c67..04d1a9969aa 100644 --- a/doc/src/Commands_fix.rst +++ b/doc/src/Commands_fix.rst @@ -44,7 +44,7 @@ OPT. * :doc:`brownian/sphere ` * :doc:`charge/regulation ` * :doc:`cmap (k) ` - * :doc:`colvars (k) ` + * :doc:`colvars ` * :doc:`controller ` * :doc:`damping/cundall ` * :doc:`deform (k) ` diff --git a/doc/src/fix_colvars.rst b/doc/src/fix_colvars.rst index 785893077c8..21a9d067142 100644 --- a/doc/src/fix_colvars.rst +++ b/doc/src/fix_colvars.rst @@ -123,7 +123,12 @@ that will be used in the colvars module. ---------- -.. include:: accel_styles.rst +.. note:: + + Fix colvars/kk is not really ported to KOKKOS, since the colvars + library has not been ported to KOKKOS. It merely has some + optimizations to reduce the data transfers between host and device + for KOKKOS with GPUs. ---------- diff --git a/doc/utils/check-styles.py b/doc/utils/check-styles.py index 89c89207608..6e4d133cd48 100644 --- a/doc/utils/check-styles.py +++ b/doc/utils/check-styles.py @@ -73,8 +73,6 @@ opt = re.compile("(.+)/opt\\s*$") removed = re.compile("(.*)Deprecated$") -accel_pattern = re.compile(r"^.. include::\s+accel_styles.rst$") - def require_accel_include(path): found = False needs = False @@ -94,6 +92,7 @@ def require_accel_include(path): if kokkos.match(line): needs = True if intel.match(line): needs = True if opt.match(line): needs = True + if path == "src/fix_colvars.rst": needs = False m = cmd_pattern.match(line) if m: if gpu.match(line): needs = True @@ -167,7 +166,9 @@ def check_style(filename, dirname, pattern, styles, name, suffix=False, skip=set # known undocumented aliases we need to skip if c in skip: continue s = c - if suffix: s = add_suffix(styles, c) + if suffix: + s = add_suffix(styles, c) + if s == 'colvars (k)' : continue if not s in matches: if not styles[c]['removed']: print(f"{name} style entry {s} is missing or incomplete in {filename}") @@ -300,7 +301,7 @@ def check_style_index(name, styles, index, skip=[]): print("Total number of style index entries:", total_index) skip_angle = ('sdk') -skip_fix = ('python', 'NEIGH_HISTORY/omp','acks2/reax','qeq/reax','reax/c/bonds','reax/c/species', 'pimd') +skip_fix = ('python', 'NEIGH_HISTORY/omp','acks2/reax','qeq/reax','reax/c/bonds','reax/c/species', 'pimd', 'colvars/kk') skip_pair = ('meam/c','lj/sf','reax/c','lj/sdk','lj/sdk/coul/long','lj/sdk/coul/msm') skip_compute = ('pressure/cylinder')