Changeset 802a9d for utils/Python/Makefile.am

Timestamp:

Dec 21, 2025, 9:50:27 PM (8 days ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.1, stable

Children:

2e7888

Parents:

e4b9d5

git-author:

Frederik Heber <frederik.heber@…> (11/18/25 19:34:57)

git-committer:

Frederik Heber <frederik.heber@…> (12/21/25 21:50:27)

Message:

Adds scripts to generate a bond table.

• one python script for the computation and a bash script to call it. With this split, we can easily parallelize the computations to make use of JobMarket's multiple workers.

File:

• utils/Python/Makefile.am (modified) (2 diffs)

utils/Python/Makefile.am

@@ -1 +1 @@
 if CONDPYTHON
 PYTHON_TOOLS = \
-        Python/boxmaker
+        Python/boxmaker \
+        Python/generate_bondtable \
+        Python/compute_pair_bondlength
 endif
 
@@ -13 +15 @@
 BUILT_SOURCES += ${PYTHON_TOOLS}
 CLEANFILES += ${PYTHON_TOOLS}
-pyexec_SCRIPTS += Python/boxmaker.py
+pyexec_SCRIPTS += \
+        Python/boxmaker.py \
+        Python/compute_pair_bondlength.py
 endif