Loading cmake/CMakeLists.txt +2 −0 Original line number Diff line number Diff line Loading @@ -69,6 +69,8 @@ get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h LAMMPS_VERSION) # Cmake modules/macros are in a subdirectory to keep this file cleaner set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/Modules) include(PreventInSourceBuilds) if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS) #release comes with -O3 by default set(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo MinSizeRel." FORCE) Loading cmake/Modules/PreventInSourceBuilds.cmake 0 → 100644 +23 −0 Original line number Diff line number Diff line # - Prevent in-source builds. # https://stackoverflow.com/questions/1208681/with-cmake-how-would-you-disable-in-source-builds/ function(prevent_in_source_builds) # make sure the user doesn't play dirty with symlinks get_filename_component(srcdir "${CMAKE_SOURCE_DIR}" REALPATH) get_filename_component(srcdir2 "${CMAKE_SOURCE_DIR}/.." REALPATH) get_filename_component(srcdir3 "${CMAKE_SOURCE_DIR}/../src" REALPATH) get_filename_component(bindir "${CMAKE_BINARY_DIR}" REALPATH) # disallow in-source builds if("${srcdir}" STREQUAL "${bindir}" OR "${srcdir2}" STREQUAL "${bindir}" OR "${srcdir3}" STREQUAL "${bindir}") message(FATAL_ERROR "\ CMake must not to be run in the source directory. \ Rather create a dedicated build directory and run CMake there. \ To clean up after this aborted in-place compilation: rm -r CMakeCache.txt CMakeFiles ") endif() endfunction() prevent_in_source_builds() doc/Makefile +5 −4 Original line number Diff line number Diff line Loading @@ -95,9 +95,10 @@ spelling: $(OBJECTS) utils/sphinx-config/false_positives.txt @echo "Spell check finished." epub: $(OBJECTS) @mkdir -p epub @mkdir -p epub/JPG @rm -f LAMMPS.epub @cp src/JPG/lammps-logo.png epub/ @cp src/JPG/*.* epub/JPG @(\ . $(VENV)/bin/activate ;\ cp -r src/* $(RSTDIR)/ ;\ Loading @@ -123,9 +124,9 @@ pdf: utils/txt2html/txt2html.exe cd ..; \ ../utils/txt2html/txt2html.exe -b *.txt; \ htmldoc --batch lammps.book; \ for s in `echo *.txt | sed -e 's,\.txt,\.html,g'` ; \ do grep -q $$s lammps.book || \ echo doc file $$s missing in src/lammps.book; done; \ for s in `echo *.txt | sed -e 's/ \(pairs\|bonds\|angles\|dihedrals\|impropers\|commands_list\|fixes\|computes\).txt/ /g' | sed -e 's,\.txt,\.html,g'` ; \ do grep -q ^$$s lammps.book || \ echo WARNING: doc file $$s missing in src/lammps.book; done; \ rm *.html; \ ) Loading doc/src/Build_extras.txt +4 −4 Original line number Diff line number Diff line Loading @@ -563,9 +563,9 @@ file. VORONOI package :h4,link(voronoi) To build with this package, you must download and build the "Voro++ library"_voro_home. library"_voro-home. :link(voro_home,http://math.lbl.gov/voro++) :link(voro-home,http://math.lbl.gov/voro++) [CMake build]: Loading Loading @@ -932,9 +932,9 @@ successfully build on your system. USER-SCAFACOS package :h4,link(user-scafacos) To build with this package, you must download and build the "ScaFaCoS Coulomb solver library"_scafacos_home Coulomb solver library"_scafacos-home :link(scafacos_home,http://www.scafacos.de) :link(scafacos-home,http://www.scafacos.de) [CMake build]: Loading doc/src/Commands_bond.txt +7 −4 Original line number Diff line number Diff line Loading @@ -34,7 +34,7 @@ OPT. "fene (iko)"_bond_fene.html, "fene/expand (o)"_bond_fene_expand.html, "gromos (o)"_bond_gromos.html, "harmonic (ko)"_bond_harmonic.html, "harmonic (iko)"_bond_harmonic.html, "harmonic/shift (o)"_bond_harmonic_shift.html, "harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html, "morse (o)"_bond_morse.html, Loading @@ -57,9 +57,11 @@ OPT. "zero"_angle_zero.html, "hybrid"_angle_hybrid.html :tb(c=3,ea=c) "charmm (ko)"_angle_charmm.html, "charmm (iko)"_angle_charmm.html, "class2 (ko)"_angle_class2.html, "class2/p6"_angle_class2.html, "cosine (o)"_angle_cosine.html, "cosine/buck6d"_angle_cosine_buck6d.html, "cosine/delta (o)"_angle_cosine_delta.html, "cosine/periodic (o)"_angle_cosine_periodic.html, "cosine/shift (o)"_angle_cosine_shift.html, Loading Loading @@ -97,7 +99,7 @@ OPT. "nharmonic (o)"_dihedral_nharmonic.html, "opls (iko)"_dihedral_opls.html, "quadratic (o)"_dihedral_quadratic.html, "spherical (o)"_dihedral_spherical.html, "spherical"_dihedral_spherical.html, "table (o)"_dihedral_table.html, "table/cut"_dihedral_table_cut.html :tb(c=4,ea=c) Loading @@ -120,5 +122,6 @@ OPT. "distance"_improper_distance.html, "fourier (o)"_improper_fourier.html, "harmonic (iko)"_improper_harmonic.html, "inversion/harmonic"_improper_inversion_harmonic.html, "ring (o)"_improper_ring.html, "umbrella (o)"_improper_umbrella.html :tb(c=4,ea=c) Loading
cmake/CMakeLists.txt +2 −0 Original line number Diff line number Diff line Loading @@ -69,6 +69,8 @@ get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h LAMMPS_VERSION) # Cmake modules/macros are in a subdirectory to keep this file cleaner set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/Modules) include(PreventInSourceBuilds) if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS) #release comes with -O3 by default set(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo MinSizeRel." FORCE) Loading
cmake/Modules/PreventInSourceBuilds.cmake 0 → 100644 +23 −0 Original line number Diff line number Diff line # - Prevent in-source builds. # https://stackoverflow.com/questions/1208681/with-cmake-how-would-you-disable-in-source-builds/ function(prevent_in_source_builds) # make sure the user doesn't play dirty with symlinks get_filename_component(srcdir "${CMAKE_SOURCE_DIR}" REALPATH) get_filename_component(srcdir2 "${CMAKE_SOURCE_DIR}/.." REALPATH) get_filename_component(srcdir3 "${CMAKE_SOURCE_DIR}/../src" REALPATH) get_filename_component(bindir "${CMAKE_BINARY_DIR}" REALPATH) # disallow in-source builds if("${srcdir}" STREQUAL "${bindir}" OR "${srcdir2}" STREQUAL "${bindir}" OR "${srcdir3}" STREQUAL "${bindir}") message(FATAL_ERROR "\ CMake must not to be run in the source directory. \ Rather create a dedicated build directory and run CMake there. \ To clean up after this aborted in-place compilation: rm -r CMakeCache.txt CMakeFiles ") endif() endfunction() prevent_in_source_builds()
doc/Makefile +5 −4 Original line number Diff line number Diff line Loading @@ -95,9 +95,10 @@ spelling: $(OBJECTS) utils/sphinx-config/false_positives.txt @echo "Spell check finished." epub: $(OBJECTS) @mkdir -p epub @mkdir -p epub/JPG @rm -f LAMMPS.epub @cp src/JPG/lammps-logo.png epub/ @cp src/JPG/*.* epub/JPG @(\ . $(VENV)/bin/activate ;\ cp -r src/* $(RSTDIR)/ ;\ Loading @@ -123,9 +124,9 @@ pdf: utils/txt2html/txt2html.exe cd ..; \ ../utils/txt2html/txt2html.exe -b *.txt; \ htmldoc --batch lammps.book; \ for s in `echo *.txt | sed -e 's,\.txt,\.html,g'` ; \ do grep -q $$s lammps.book || \ echo doc file $$s missing in src/lammps.book; done; \ for s in `echo *.txt | sed -e 's/ \(pairs\|bonds\|angles\|dihedrals\|impropers\|commands_list\|fixes\|computes\).txt/ /g' | sed -e 's,\.txt,\.html,g'` ; \ do grep -q ^$$s lammps.book || \ echo WARNING: doc file $$s missing in src/lammps.book; done; \ rm *.html; \ ) Loading
doc/src/Build_extras.txt +4 −4 Original line number Diff line number Diff line Loading @@ -563,9 +563,9 @@ file. VORONOI package :h4,link(voronoi) To build with this package, you must download and build the "Voro++ library"_voro_home. library"_voro-home. :link(voro_home,http://math.lbl.gov/voro++) :link(voro-home,http://math.lbl.gov/voro++) [CMake build]: Loading Loading @@ -932,9 +932,9 @@ successfully build on your system. USER-SCAFACOS package :h4,link(user-scafacos) To build with this package, you must download and build the "ScaFaCoS Coulomb solver library"_scafacos_home Coulomb solver library"_scafacos-home :link(scafacos_home,http://www.scafacos.de) :link(scafacos-home,http://www.scafacos.de) [CMake build]: Loading
doc/src/Commands_bond.txt +7 −4 Original line number Diff line number Diff line Loading @@ -34,7 +34,7 @@ OPT. "fene (iko)"_bond_fene.html, "fene/expand (o)"_bond_fene_expand.html, "gromos (o)"_bond_gromos.html, "harmonic (ko)"_bond_harmonic.html, "harmonic (iko)"_bond_harmonic.html, "harmonic/shift (o)"_bond_harmonic_shift.html, "harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html, "morse (o)"_bond_morse.html, Loading @@ -57,9 +57,11 @@ OPT. "zero"_angle_zero.html, "hybrid"_angle_hybrid.html :tb(c=3,ea=c) "charmm (ko)"_angle_charmm.html, "charmm (iko)"_angle_charmm.html, "class2 (ko)"_angle_class2.html, "class2/p6"_angle_class2.html, "cosine (o)"_angle_cosine.html, "cosine/buck6d"_angle_cosine_buck6d.html, "cosine/delta (o)"_angle_cosine_delta.html, "cosine/periodic (o)"_angle_cosine_periodic.html, "cosine/shift (o)"_angle_cosine_shift.html, Loading Loading @@ -97,7 +99,7 @@ OPT. "nharmonic (o)"_dihedral_nharmonic.html, "opls (iko)"_dihedral_opls.html, "quadratic (o)"_dihedral_quadratic.html, "spherical (o)"_dihedral_spherical.html, "spherical"_dihedral_spherical.html, "table (o)"_dihedral_table.html, "table/cut"_dihedral_table_cut.html :tb(c=4,ea=c) Loading @@ -120,5 +122,6 @@ OPT. "distance"_improper_distance.html, "fourier (o)"_improper_fourier.html, "harmonic (iko)"_improper_harmonic.html, "inversion/harmonic"_improper_inversion_harmonic.html, "ring (o)"_improper_ring.html, "umbrella (o)"_improper_umbrella.html :tb(c=4,ea=c)
