Merge pull request #1972 from akohlmey/collected-small-changes (01cd32eb) · Commits · 郑智淋 / lammps

cmake/presets/intel.cmake

+0 −1

Original line number	Diff line number	Diff line
		@@ -2,7 +2,6 @@

		set(CMAKE_CXX_COMPILER "icpc" CACHE STRING "" FORCE)
		set(CMAKE_C_COMPILER "icc" CACHE STRING "" FORCE)
		set(CMAKE_CXX_FLAGS "-O3 -DNDEBG" CACHE STRING "" FORCE)
		set(MPI_CXX "icpc" CACHE STRING "" FORCE)
		set(MPI_CXX_COMPILER "mpicxx" CACHE STRING "" FORCE)
		unset(HAVE_OMP_H_INCLUDE CACHE)

cmake/presets/mingw-cross.cmake

+2 −1

Original line number	Diff line number	Diff line
		@@ -23,6 +23,7 @@ set(DOWNLOAD_VORO ON CACHE BOOL "" FORCE)
		set(DOWNLOAD_EIGEN3 ON CACHE BOOL "" FORCE)
		set(LAMMPS_MEMALIGN "0" CACHE STRING "" FORCE)
		set(CMAKE_TUNE_FLAGS "-Wno-missing-include-dirs" CACHE STRING "" FORCE)
		set(CMAKE_EXE_LINKER_FLAGS "--enable-stdcall-fixup" CACHE STRING "" FORCE)
		set(CMAKE_EXE_LINKER_FLAGS "-Wl,--enable-stdcall-fixup" CACHE STRING "" FORCE)
		set(CMAKE_SHARED_LINKER_FLAGS "-Wl,--enable-stdcall-fixup" CACHE STRING "" FORCE)
		set(BUILD_TOOLS ON CACHE BOOL "" FORCE)
		set(CMAKE_INSTALL_PREFIX "${CMAKE_CURRENT_BINARY_DIR}/lammps-installer")

doc/Makefile

+12 −3

Original line number	Diff line number	Diff line
		@@ -12,6 +12,7 @@ PYTHON = $(shell which python3)
		VIRTUALENV = virtualenv
		HAS_PYTHON3 = NO
		HAS_VIRTUALENV = NO
		HAS_PDFLATEX = NO

		ifeq ($(shell which python3 >/dev/null 2>&1; echo $$?), 0)
		HAS_PYTHON3 = YES
		@@ -27,6 +28,11 @@ VIRTUALENV = virtualenv
		HAS_VIRTUALENV = YES
		endif

		ifeq ($(shell which pdflatex >/dev/null 2>&1; echo $$?), 0)
		HAS_PDFLATEX = YES
		endif


		SPHINXEXTRA = -j $(shell $(PYTHON) -c 'import multiprocessing;print(multiprocessing.cpu_count())')

		.PHONY: help clean-all clean clean-spelling epub mobi rst html pdf spelling anchor_check style_check
		@@ -86,8 +92,7 @@ html: $(ANCHORCHECK) $(MATHJAX)
		spelling: $(VENV) utils/sphinx-config/false_positives.txt
		@(\
		. $(VENV)/bin/activate ;\
		pip install sphinxcontrib-spelling ;\
		cp utils/sphinx-config/false_positives.txt $(RSTDIR)/ ;\
		cp utils/sphinx-config/false_positives.txt $(RSTDIR)/ ; env PYTHONWARNINGS= \
		sphinx-build -b spelling -c utils/sphinx-config -d $(BUILDDIR)/doctrees $(RSTDIR) spelling ;\
		deactivate ;\
		)
		@@ -113,6 +118,7 @@ mobi: epub
		@echo "Conversion finished. The MOBI manual file is created."

		pdf: $(ANCHORCHECK)
		@if [ "$(HAS_PDFLATEX)" == "NO" ] ; then echo "PDFLaTeX was not found! Please check README.md for further instructions" 1>&2; exit 1; fi
		@(\
		cd src/Developer; \
		pdflatex developer; \
		@@ -187,7 +193,10 @@ $(VENV):
		@( \
		$(VIRTUALENV) -p $(PYTHON) $(VENV); \
		. $(VENV)/bin/activate; \
		pip install Sphinx; \
		pip install --upgrade pip; \
		pip install Sphinx==2.4.4; \
		pip install sphinxcontrib-spelling ;\
		pip install breathe; \
		deactivate;\
		)

doc/README

+6 −0

Original line number	Diff line number	Diff line
		@@ -93,12 +93,18 @@ support for PDFLaTeX. Also the following LaTeX packages need
		to be installed (e.g. from texlive):
		- amsmath
		- babel
		- capt-of
		- cmap
		- fncychap
		- framed
		- geometry
		- hyperref
		- hypcap
		- needspace
		- times
		- tabulary
		- upquote
		- wrapfig
		----------------

		Installing prerequisites for epub build

doc/src/minimize.rst

+1 −1

Original line number	Diff line number	Diff line
		@@ -64,7 +64,7 @@ performed using a line search algorithm. The line search typically
		evaluates forces and energies several times to set new coordinates.
		Currently, a backtracking algorithm is used which may not be optimal
		in terms of the number of force evaluations performed, but appears to
		be more robust than previous line searches we've tried. The
		be more robust than previous line searches we have tried. The
		backtracking method is described in Nocedal and Wright's Numerical
		Optimization (Procedure 3.1 on p 41).

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