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containers
containers
 
 
Makefile
Makefile
 
 
README.md
README.md
 
 
build_test_library.cmake
build_test_library.cmake
 
 
check_build_recipes
check_build_recipes
 
 
cleanup-gh-cache.sh
cleanup-gh-cache.sh
 
 
compile-gromacs.sh
compile-gromacs.sh
 
 
compile-lammps.sh
compile-lammps.sh
 
 
compile-namd.sh
compile-namd.sh
 
 
compile-vmd.sh
compile-vmd.sh
 
 
create_gromacs-colvars-releases.md
create_gromacs-colvars-releases.md
 
 
fix_unmerged_ours
fix_unmerged_ours
 
 
fix_unmerged_theirs
fix_unmerged_theirs
 
 
get_spiff
get_spiff
 
 
load-openmpi.sh
load-openmpi.sh
 
 
load-recent-gcc.sh
load-recent-gcc.sh
 
 
load-recent-git.sh
load-recent-git.sh
 
 
patch_ref_files
patch_ref_files
 
 
pre-commit
pre-commit
 
 
print_pr_list.py
print_pr_list.py
 
 
remove_spiff_format
remove_spiff_format
 
 
set-ccache.sh
set-ccache.sh
 
 
update-header-cpp.patch
update-header-cpp.patch
 
 
update-header-tex.patch
update-header-tex.patch
 
 
version_functions.sh
version_functions.sh
 
 

README.md

Colvars development tools and scripts

Automatically updating the version strings

The functions defined in version_functions.sh allow to keep the COLVARS_VERSION macro and related ones up to date. From the root folder:

source devel-tools/version_functions.sh 
update_all_versions <last_commit_before_change>

The argument of the update_all_versions function is the hash of a commit that precedes the changes added since the last time that the macros were updated. A Git commit is auto-generated, which will also trigger a doc rebuild when pushed to GitHub.

Git commit hooks

Type make in this folder to install a pre-commit hook, which will remove all trailing whitespace from the staged changes.