------------------------------------------------------------------------------- -- Phase: Environment ------------------------------------------------------------------------------- NO_DEPENDS=1 FLAVOR=py39 UNAME_r=6.5 UNAME_m=x86_64 UNAME_p=x86_64 UNAME_v=unknown UNAME_s=DragonFly PATH=/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin SSL_NO_VERIFY_PEER=1 LANG=C HOME=/root USER=root TERM=dumb SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: showconfig ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: CONFIGURE_ENV ------------------------------------------------------------------------------- PYTHON="/usr/local/bin/python3.9" XDG_DATA_HOME=/construction/science/py-asap3 XDG_CONFIG_HOME=/construction/science/py-asap3 XDG_CACHE_HOME=/construction/science/py-asap3/.cache HOME=/construction/science/py-asap3 TMPDIR="/tmp" PATH=/construction/science/py-asap3/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin PKG_CONFIG_LIBDIR=/construction/science/py-asap3/.pkgconfig:/usr/local/libdata/pkgconfig:/usr/local/share/pkgconfig:/usr/libdata/pkgconfig SHELL=/bin/sh CONFIG_SHELL=/bin/sh CCVER=gcc80 CMAKE_PREFIX_PATH="/usr/local" SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: CONFIGURE_ARGS ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: MAKE_ENV ------------------------------------------------------------------------------- XDG_DATA_HOME=/construction/science/py-asap3 XDG_CONFIG_HOME=/construction/science/py-asap3 XDG_CACHE_HOME=/construction/science/py-asap3/.cache HOME=/construction/science/py-asap3 TMPDIR="/tmp" PATH=/construction/science/py-asap3/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin PKG_CONFIG_LIBDIR=/construction/science/py-asap3/.pkgconfig:/usr/local/libdata/pkgconfig:/usr/local/share/pkgconfig:/usr/libdata/pkgconfig MK_DEBUG_FILES=no MK_KERNEL_SYMBOLS=no SHELL=/bin/sh NO_LINT=YES CCVER=gcc80 LDSHARED="cc -shared" PYTHONDONTWRITEBYTECODE= PYTHONOPTIMIZE= PREFIX=/usr/local LOCALBASE=/usr/local NOPROFILE=1 CC="cc" CFLAGS="-pipe -O2 -isystem /usr/local/include -fno-strict-aliasing " CPP="cpp" CPPFLAGS="-isystem /usr/local/include" LDFLAGS=" " LIBS="-L/usr/local/lib" CXX="c++" CXXFLAGS=" -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include " MANPREFIX="/usr/local" BSD_INSTALL_PROGRAM="install -s -m 555" BSD_INSTALL_LIB="install -s -m 0644" BSD_INSTALL_SCRIPT="install -m 555" BSD_INSTALL_DATA="install -m 0644" BSD_INSTALL_MAN="install -m 444" SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: MAKE_ARGS ------------------------------------------------------------------------------- DESTDIR=/construction/science/py-asap3/stage SUCCEEDED 00:00:01 ------------------------------------------------------------------------------- -- Phase: PLIST_SUB ------------------------------------------------------------------------------- PYTHON_INCLUDEDIR=include/python3.9 PYTHON_LIBDIR=lib/python3.9 PYTHON_PLATFORM=dragonfly6 PYTHON_SITELIBDIR=lib/python3.9/site-packages PYTHON_SUFFIX=39 PYTHON_EXT_SUFFIX=.cpython-39 PYTHON_VER=3.9 PYTHON_VERSION=python3.9 PYTHON2="@comment " PYTHON3="" OSREL=6.5 PREFIX=%D LOCALBASE=/usr/local RESETPREFIX=/usr/local LIB32DIR=lib PROFILE="@comment " DOCSDIR="share/doc/py39-asap3" EXAMPLESDIR="share/examples/py39-asap3" DATADIR="share/py39-asap3" WWWDIR="www/py39-asap3" ETCDIR="etc/py39-asap3" SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: SUB_LIST ------------------------------------------------------------------------------- PYTHON_INCLUDEDIR=/usr/local/include/python3.9 PYTHON_LIBDIR=/usr/local/lib/python3.9 PYTHON_PLATFORM=dragonfly6 PYTHON_SITELIBDIR=/usr/local/lib/python3.9/site-packages PYTHON_SUFFIX=39 PYTHON_EXT_SUFFIX=.cpython-39 PYTHON_VER=3.9 PYTHON_VERSION=python3.9 PYTHON2="@comment " PYTHON3="" PREFIX=/usr/local LOCALBASE=/usr/local DATADIR=/usr/local/share/py39-asap3 DOCSDIR=/usr/local/share/doc/py39-asap3 EXAMPLESDIR=/usr/local/share/examples/py39-asap3 WWWDIR=/usr/local/www/py39-asap3 ETCDIR=/usr/local/etc/py39-asap3 SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: /etc/make.conf ------------------------------------------------------------------------------- DPORTS_BUILDER=yes DISABLE_LICENSES=yes DEFAULT_VERSIONS=ssl=openssl FORCE_PACKAGE=yes DEVELOPER=yes DFLY_STING_XFAIL=yes USE_PACKAGE_DEPENDS_ONLY=yes PORTSDIR=/xports PORT_DBDIR=/options PKG_DBDIR=/var/db/pkg PKG_CACHEDIR=/var/cache/pkg PKG_COMPRESSION_FORMAT=.tgz DEVELOPER=1 WITH_CCACHE_BUILD=yes CCACHE_DIR=/ccache UID=0 ARCH=x86_64 OPSYS=DragonFly DFLYVERSION=600503 OSVERSION=9999999 OSREL=6.5 _OSRELEASE=6.5-SYNTH DISTDIR=/distfiles WRKDIRPREFIX=/construction BATCH=yes PACKAGE_BUILDING=yes PKG_CREATE_VERBOSE=yes MAKE_JOBS_NUMBER=13 SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: setup ------------------------------------------------------------------------------- Installing /packages/All/metis-5.1.0_9.pkg ===== Message from metis-5.1.0_9: -- ===> NOTICE: The metis port currently does not have a maintainer. As a result, it is more likely to have unresolved issues, not be up-to-date, or even be removed in the future. To volunteer to maintain this port, please create an issue at: https://bugs.freebsd.org/bugzilla More information about port maintainership is available at: https://docs.freebsd.org/en/articles/contributing/#ports-contributing Installing /packages/All/indexinfo-0.3.1.pkg Installing /packages/All/gmp-6.2.1.pkg Installing /packages/All/mpfr-4.2.0_1,1.pkg Installing /packages/All/mpc-1.3.1_1.pkg UNFLAVORED devel/binutils -> use devel/binutils@native Installing /packages/All/liblz4-1.9.4,1.pkg Installing /packages/All/zstd-1.5.5.pkg Installing /packages/All/gettext-runtime-0.21.1.pkg Installing /packages/All/binutils-2.40_4,1.pkg Installing /packages/All/gcc12-12.2.0_6.pkg ===== Message from gcc12-12.2.0_6: -- To ensure binaries built with this toolchain find appropriate versions of the necessary run-time libraries, you may want to link using -Wl,-rpath=/usr/local/lib/gcc12 For ports leveraging USE_GCC, USES=compiler, or USES=fortran this happens transparently. Installing /packages/All/openblas-0.3.20_1,1.pkg Installing /packages/All/suitesparse-config-7.0.1_1.pkg Installing /packages/All/suitesparse-amd-3.0.3_1.pkg Installing /packages/All/suitesparse-camd-3.0.3_1.pkg Installing /packages/All/suitesparse-colamd-3.0.3_1.pkg Installing /packages/All/suitesparse-ccolamd-3.0.3_1.pkg Installing /packages/All/suitesparse-cholmod-4.0.3_1.pkg Installing /packages/All/suitesparse-umfpack-6.1.0_1.pkg Installing /packages/All/libffi-3.4.4.pkg Installing /packages/All/expat-2.5.0.pkg Installing /packages/All/mpdecimal-2.5.1.pkg Installing /packages/All/ncurses-6.4.pkg ===== Message from ncurses-6.4: -- To get the terminfo database please install the terminfo-db package: pkg install terminfo-db Installing /packages/All/readline-8.2.1.pkg Installing /packages/All/openssl-1.1.1u,1.pkg Installing /packages/All/python39-3.9.17.pkg ===== Message from python39-3.9.17: -- Note that some standard Python modules are provided as separate ports as they require additional dependencies. They are available as: py39-gdbm databases/py-gdbm@py39 py39-sqlite3 databases/py-sqlite3@py39 py39-tkinter x11-toolkits/py-tkinter@py39 Installing /packages/All/py39-setuptools-63.1.0_1.pkg Installing /packages/All/py39-numpy-1.24.1_4,1.pkg Installing /packages/All/ccache-3.7.12_4.pkg Create compiler links... create symlink for cc create symlink for cc (world) create symlink for c++ create symlink for c++ (world) create symlink for CC create symlink for CC (world) create symlink for gcc create symlink for gcc (world) create symlink for g++ create symlink for g++ (world) create symlink for gcc12 create symlink for gcc12 (world) create symlink for g++12 create symlink for g++12 (world) create symlink for cpp12 create symlink for cpp12 (world) ===== Message from ccache-3.7.12_4: -- NOTE: Please read /usr/local/share/doc/ccache/ccache-howto-freebsd.txt for information on using ccache with FreeBSD ports and src. Installing /packages/All/libpciaccess-0.17.pkg Installing /packages/All/level-zero-1.12.0.pkg Installing /packages/All/libxml2-2.10.4.pkg Installing /packages/All/hwloc2-2.8.0.pkg Installing /packages/All/json-c-0.16.pkg Installing /packages/All/libsysinfo-0.0.3_2.pkg Installing /packages/All/libgpg-error-1.47.pkg Installing /packages/All/libgcrypt-1.10.2.pkg Installing /packages/All/munge-0.5.15.pkg Installing /packages/All/libaec-1.0.6.pkg Installing /packages/All/hdf5-1.12.2_2,1.pkg Installing /packages/All/libedit-3.1.20221030,1.pkg Installing /packages/All/lua54-5.4.6.pkg Installing /packages/All/slurm-wlm-20.02.7_3.pkg ===> Creating groups. Creating group 'slurm' with gid '468'. ===> Creating users Creating user 'slurm' with uid '468'. ===== Message from slurm-wlm-20.02.7_3: -- ===> NOTICE: The slurm-wlm port currently does not have a maintainer. As a result, it is more likely to have unresolved issues, not be up-to-date, or even be removed in the future. To volunteer to maintain this port, please create an issue at: https://bugs.freebsd.org/bugzilla More information about port maintainership is available at: https://docs.freebsd.org/en/articles/contributing/#ports-contributing Installing /packages/All/libepoll-shim-0.0.20230411.pkg Installing /packages/All/bash-5.2.15.pkg Installing /packages/All/perl5-5.32.1_3.pkg Installing /packages/All/mpich-3.4.3_2.pkg ===== Message from mpich-3.4.3_2: -- ===> NOTICE: The mpich port currently does not have a maintainer. As a result, it is more likely to have unresolved issues, not be up-to-date, or even be removed in the future. To volunteer to maintain this port, please create an issue at: https://bugs.freebsd.org/bugzilla More information about port maintainership is available at: https://docs.freebsd.org/en/articles/contributing/#ports-contributing Installing /packages/All/brotli-1.0.9,1.pkg Installing /packages/All/png-1.6.39.pkg Installing /packages/All/freetype2-2.12.1_2.pkg ===== Message from freetype2-2.12.1_2: -- The 2.7.x series now uses the new subpixel hinting mode (V40 port's option) as the default, emulating a modern version of ClearType. This change inevitably leads to different rendering results, and you might change port's options to adapt it to your taste (or use the new "FREETYPE_PROPERTIES" environment variable). The environment variable "FREETYPE_PROPERTIES" can be used to control the driver properties. Example: FREETYPE_PROPERTIES=truetype:interpreter-version=35 \ cff:no-stem-darkening=1 \ autofitter:warping=1 This allows to select, say, the subpixel hinting mode at runtime for a given application. If LONG_PCF_NAMES port's option was enabled, the PCF family names may include the foundry and information whether they contain wide characters. For example, "Sony Fixed" or "Misc Fixed Wide", instead of "Fixed". This can be disabled at run time with using pcf:no-long-family-names property, if needed. Example: FREETYPE_PROPERTIES=pcf:no-long-family-names=1 How to recreate fontconfig cache with using such environment variable, if needed: # env FREETYPE_PROPERTIES=pcf:no-long-family-names=1 fc-cache -fsv The controllable properties are listed in the section "Controlling FreeType Modules" in the reference's table of contents (/usr/local/share/doc/freetype2/reference/index.html, if documentation was installed). Installing /packages/All/qhull-8.0.2_1,1.pkg Installing /packages/All/fontconfig-2.14.2,1.pkg Running fc-cache to build fontconfig cache... Installing /packages/All/py39-contourpy-1.0.7_1.pkg Installing /packages/All/py39-cycler-0.11.0.pkg Installing /packages/All/py39-six-1.16.0.pkg Installing /packages/All/py39-dateutil-2.8.2.pkg Installing /packages/All/py39-zipp-3.15.0.pkg Installing /packages/All/py39-importlib-resources-5.4.0_1.pkg Installing /packages/All/py39-pytz-2023.3,1.pkg Installing /packages/All/py39-pyparsing-3.0.9_2.pkg Installing /packages/All/py39-tornado-6.3.2.pkg Installing /packages/All/py39-pluggy-1.0.0_1.pkg Installing /packages/All/libimagequant-4.2.0_1.pkg Installing /packages/All/libdeflate-1.18.pkg Installing /packages/All/jbigkit-2.1_1.pkg Installing /packages/All/jpeg-turbo-2.1.5.1.pkg Installing /packages/All/tiff-4.4.0_1.pkg Installing /packages/All/lcms2-2.15_1.pkg Installing /packages/All/openjpeg-2.5.0.pkg Installing /packages/All/fribidi-1.0.13.pkg Installing /packages/All/graphite2-1.3.14.pkg Installing /packages/All/pcre2-10.42.pkg Installing /packages/All/libiconv-1.17.pkg Installing /packages/All/glib-2.76.4,2.pkg Generating GIO modules cache Compiling glib schemas No schema files found: doing nothing. Installing /packages/All/harfbuzz-7.3.0.pkg Installing /packages/All/libraqm-0.10.1.pkg Installing /packages/All/giflib-5.2.1.pkg Installing /packages/All/webp-1.3.0_1.pkg Installing /packages/All/tcl86-8.6.13.pkg Installing /packages/All/libXau-1.0.9.pkg Installing /packages/All/xorgproto-2022.1_1.pkg Installing /packages/All/libXdmcp-1.1.3.pkg Installing /packages/All/libxcb-1.15_1.pkg Installing /packages/All/libX11-1.8.6,1.pkg Installing /packages/All/libXext-1.3.4,1.pkg Installing /packages/All/libXrender-0.9.10_2.pkg Installing /packages/All/libXft-2.3.7.pkg Installing /packages/All/libXScrnSaver-1.2.4.pkg Installing /packages/All/tk86-8.6.13.pkg Installing /packages/All/py39-olefile-0.46.pkg Installing /packages/All/py39-tkinter-3.9.17_6.pkg Installing /packages/All/py39-pillow-9.5.0.pkg Installing /packages/All/py39-certifi-2023.5.7.pkg Installing /packages/All/py39-kiwisolver-1.4.4_1,1.pkg Installing /packages/All/libxslt-1.1.37.pkg Installing /packages/All/py39-lxml-4.9.2.pkg Installing /packages/All/py39-appdirs-1.4.4.pkg Installing /packages/All/py39-fs2-2.4.16.pkg Installing /packages/All/py39-unicodedata2-15.0.0.pkg Installing /packages/All/py39-fonttools-4.39.4_1.pkg Installing /packages/All/py39-packaging-23.1.pkg Installing /packages/All/py39-matplotlib-3.7.1_3.pkg Installing /packages/All/blas-3.11.0_1.pkg Installing /packages/All/py39-scipy-1.10.1_1.pkg Installing /packages/All/lapack-3.11.0_1.pkg Installing /packages/All/scalapack-2.2.0_1.pkg ===== Message from scalapack-2.2.0_1: -- Please test your scalapack installation Example programs are located at /usr/local/share/examples/SCALAPACK Test programs are located at /usr/local/share/SCALAPACK/TESTING Example: % cd /usr/local/share/SCALAPACK/TESTING % /usr/local/bin/mpirun -np 4 ./xcbrd % /usr/local/bin/mpirun -np 4 ./xcdblu etc., etc. ... to perform all the tests, % cd /usr/local/share/SCALAPACK/TESTING % csh % foreach i (x*) ? /usr/local/bin/mpirun -np 4 ./$i >& ~/$i.log ? end % /usr/local/bin/mpdallexit If you're using OpenMPI, use this instead: % cd /usr/local/share/SCALAPACK/TESTING % LD_LIBRARY_PATH=/usr/local/mpi/openmpi/lib/ export LD_LIBRARY_PATH % PATH=$PATH:/usr/local/mpi/openmpi/bin/ export PATH % mpirun -np 4 ./xcbrd % mpirun -np 4 ./xcdblu etc., etc. ... You can change -np 4 to any number to meet your environment. See files at /usr/local/share/doc/scalapack for detail. -- ===> NOTICE: The scalapack port currently does not have a maintainer. As a result, it is more likely to have unresolved issues, not be up-to-date, or even be removed in the future. To volunteer to maintain this port, please create an issue at: https://bugs.freebsd.org/bugzilla More information about port maintainership is available at: https://docs.freebsd.org/en/articles/contributing/#ports-contributing Installing /packages/All/ga-5.8.1_1.pkg Installing /packages/All/nwchem-data-7.2.0.pkg Installing /packages/All/nwchem-7.2.0_1.pkg Installing /packages/All/py39-ase-3.22.1_1.pkg UNFLAVORED devel/binutils -> use devel/binutils@native SUCCEEDED 00:00:37 ------------------------------------------------------------------------------- -- Phase: check-sanity ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: pkg-depends ------------------------------------------------------------------------------- ===> py39-asap3-3.12.8_1 depends on file: /usr/local/sbin/pkg - found SUCCEEDED 00:00:01 ------------------------------------------------------------------------------- -- Phase: fetch-depends ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: fetch ------------------------------------------------------------------------------- ===> py39-asap3-3.12.8_1 depends on file: /usr/local/sbin/pkg - found ===> Fetching all distfiles required by py39-asap3-3.12.8_1 for building SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: checksum ------------------------------------------------------------------------------- ===> py39-asap3-3.12.8_1 depends on file: /usr/local/sbin/pkg - found ===> Fetching all distfiles required by py39-asap3-3.12.8_1 for building => SHA256 Checksum OK for asap3-3.12.8.tar.gz. SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: extract-depends ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: extract ------------------------------------------------------------------------------- ===> py39-asap3-3.12.8_1 depends on file: /usr/local/sbin/pkg - found ===> Fetching all distfiles required by py39-asap3-3.12.8_1 for building ===> Extracting for py39-asap3-3.12.8_1 => SHA256 Checksum OK for asap3-3.12.8.tar.gz. Extracted Memory Use: 4.37M SUCCEEDED 00:00:01 ------------------------------------------------------------------------------- -- Phase: patch-depends ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: patch ------------------------------------------------------------------------------- ===> Patching for py39-asap3-3.12.8_1 SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: build-depends ------------------------------------------------------------------------------- ===> py39-asap3-3.12.8_1 depends on package: py39-numpy>=1.16,1<1.25,1 - found ===> py39-asap3-3.12.8_1 depends on package: py39-setuptools>=63.1.0 - found ===> py39-asap3-3.12.8_1 depends on file: /usr/local/bin/python3.9 - found ===> py39-asap3-3.12.8_1 depends on file: /usr/local/bin/ccache - found SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: lib-depends ------------------------------------------------------------------------------- ===> py39-asap3-3.12.8_1 depends on shared library: libmpich.so - found (/usr/local/lib/libmpich.so) SUCCEEDED 00:00:01 ------------------------------------------------------------------------------- -- Phase: configure ------------------------------------------------------------------------------- ===> py39-asap3-3.12.8_1 depends on package: py39-numpy>=1.16,1<1.25,1 - found ===> py39-asap3-3.12.8_1 depends on package: py39-setuptools>=63.1.0 - found ===> py39-asap3-3.12.8_1 depends on file: /usr/local/bin/python3.9 - found ===> py39-asap3-3.12.8_1 depends on file: /usr/local/bin/ccache - found ===> py39-asap3-3.12.8_1 depends on shared library: libmpich.so - found (/usr/local/lib/libmpich.so) ===> Configuring for py39-asap3-3.12.8_1 Asap version number: 3.12.8 customize-local.py not found - this is OK. customize-sting.dragonflybsd.org.py not found - this is OK. Reading customization from customize.py Setting CC=mpicxx -pthread Setting CXX=mpicxx -pthread Setting LDSHARED=mpicxx -pthread -shared -L/usr/local/lib -Wl,-rpath=/usr/local/lib -L/usr/local/lib -Wl,-rpath,/usr/local/lib Setting LDCXXSHARED=mpicxx -pthread -shared Recording version info into VersionInfo_autogen CC = c++ CFLAGS = -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include /bin/sh: pkg-config: not found Identifying source files Identifying Python submodules running config SUCCEEDED 00:00:03 ------------------------------------------------------------------------------- -- Phase: build ------------------------------------------------------------------------------- ===> Building for py39-asap3-3.12.8_1 Asap version number: 3.12.8 customize-local.py not found - this is OK. customize-sting.dragonflybsd.org.py not found - this is OK. Reading customization from customize.py Setting CC=mpicxx -pthread Setting CXX=mpicxx -pthread Setting LDSHARED=mpicxx -pthread -shared -L/usr/local/lib -Wl,-rpath=/usr/local/lib -L/usr/local/lib -Wl,-rpath,/usr/local/lib Setting LDCXXSHARED=mpicxx -pthread -shared /bin/sh: pkg-config: not found Identifying source files Identifying Python submodules running build running build_py creating build creating build/lib.dragonfly-6.5-x86_64-cpython-39 creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/EMT2011Parameters.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/EMT2011_py.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/EMT2013Parameters.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/GuptaParameters.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/constraints.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/fixepydoc.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/memory.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/mpi.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/testtools.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/timing.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 copying Python/asap3/version.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3 creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/BuiltinPotentials.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/Builtins.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/CheckArray.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/Collector.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/EMTParameters.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/ListOfElements.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/MonteCarloAtoms.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/OpenKIMcalculator.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/ParallelListOfAtoms.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/Subject.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/Threads.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/UtilityFunctions.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal copying Python/asap3/Internal/checkversion.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/Compatibility copying Python/asap3/Internal/Compatibility/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/Compatibility creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo copying Python/asap3/MonteCarlo/Base.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo copying Python/asap3/MonteCarlo/Basin.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo copying Python/asap3/MonteCarlo/Metropolis.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo copying Python/asap3/MonteCarlo/Start.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo copying Python/asap3/MonteCarlo/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves copying Python/asap3/MonteCarlo/Moves/Base.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves copying Python/asap3/MonteCarlo/Moves/Surface.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves copying Python/asap3/MonteCarlo/Moves/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Data copying Python/asap3/MonteCarlo/Moves/Data/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Data copying Python/asap3/MonteCarlo/Moves/Data/fcc.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Data copying Python/asap3/MonteCarlo/Moves/Data/symmetry.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Data creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/AsapFileToTrajectory.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/AtomicEnergies.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/EMT_two_atom_test.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/ElasticConstants.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/MaterialProperties.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/OptimizationDatabase.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/SurfaceEnergies.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/Timing.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools copying Python/asap3/Tools/niflheim.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/EMT.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/GetParameters.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/Optimization.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/Performance.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/Quantities.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/RGL.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/Sampling.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/ScipyFmin.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/Search.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/SearchParallel.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization copying Python/asap3/Tools/ParameterOptimization/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/averagepositions.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/clusterposition.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/cutcluster.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/findcluster.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/localstructure.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/particle.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/ptm.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis copying Python/asap3/analysis/rdf.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io copying Python/asap3/io/ReadOldFiles.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io copying Python/asap3/io/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io copying Python/asap3/io/bundletrajectory.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io copying Python/asap3/io/cpu_setup.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io copying Python/asap3/io/trajectory.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md copying Python/asap3/md/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md copying Python/asap3/md/langevin.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md copying Python/asap3/md/md.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md copying Python/asap3/md/npt.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md copying Python/asap3/md/nptberendsen.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md copying Python/asap3/md/nvtberendsen.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md copying Python/asap3/md/velocitydistribution.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md copying Python/asap3/md/verlet.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/AdsCalc.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/Logger.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/atommontecarlodata.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/cluster.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/clusteratom.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/langmuirExpression.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/mc_result.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc copying Python/asap3/nanoparticle_mc/resizecluster.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data copying Python/asap3/nanoparticle_mc/data/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data copying Python/asap3/nanoparticle_mc/data/au.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data copying Python/asap3/nanoparticle_mc/data/fcc.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data copying Python/asap3/nanoparticle_mc/data/symmetry.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/montecarlo copying Python/asap3/nanoparticle_mc/montecarlo/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/montecarlo copying Python/asap3/nanoparticle_mc/montecarlo/atom.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/montecarlo copying Python/asap3/nanoparticle_mc/montecarlo/surface.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/montecarlo creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize copying Python/asap3/optimize/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize copying Python/asap3/optimize/fire.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize copying Python/asap3/optimize/mdmin.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize copying Python/asap3/optimize/optimize.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup copying Python/asap3/setup/VelocityDistribution.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup copying Python/asap3/setup/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup copying Python/asap3/setup/dislocation.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup copying Python/asap3/setup/displacementfield.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup copying Python/asap3/setup/multidislocation.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/dislocated.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/energy.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/grain_structures.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/helpers.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/nanocrystalline.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/nanocrystalline_orig.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/plane_utils.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline copying Python/asap3/setup/nanocrystalline/quat_utils.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline creating build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize copying Python/asap3/visualize/__init__.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize copying Python/asap3/visualize/colortable.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize copying Python/asap3/visualize/fieldplotter.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize copying Python/asap3/visualize/primiplotter.py -> build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize running build_ext building '_asap' extension creating build/temp.dragonfly-6.5-x86_64-cpython-39 creating build/temp.dragonfly-6.5-x86_64-cpython-39/Basics creating build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner creating build/temp.dragonfly-6.5-x86_64-cpython-39/Interface creating build/temp.dragonfly-6.5-x86_64-cpython-39/PTM creating build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/qcprot creating build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/voronoi creating build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel creating build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface creating build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials creating build/temp.dragonfly-6.5-x86_64-cpython-39/Tools creating build/temp.dragonfly-6.5-x86_64-cpython-39/VersionInfo_autogen cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/AsapObject.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/AsapObject.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/Debug.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Debug.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/DynamicAtoms.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/DynamicAtoms.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/Exception.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Exception.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/ImageAtoms.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/ImageAtoms.o In file included from Basics/AsapPython.h:44, from Basics/ImageAtoms.h:31, from Basics/ImageAtoms.cpp:27: Basics/ImageAtoms.cpp: In destructor 'virtual AsapNS::ImageAtoms::~ImageAtoms()': Basics/Exception.h:158:71: warning: throw will always call terminate() [-Wterminate] throw AssertionFailed(#EX, __FILE__, __LINE__, __PRETTY_FUNCTION__) ^ Basics/ImageAtoms.cpp:52:3: note: in expansion of macro 'ASSERT' ASSERT(refcount == 0); ^~~~~~ Basics/Exception.h:158:71: note: in C++11 destructors default to noexcept throw AssertionFailed(#EX, __FILE__, __LINE__, __PRETTY_FUNCTION__) ^ Basics/ImageAtoms.cpp:52:3: note: in expansion of macro 'ASSERT' ASSERT(refcount == 0); ^~~~~~ Basics/ImageAtoms.cpp: In member function 'virtual void AsapNS::ImageAtoms::GetPositions(std::vector&, bool) const': Basics/ImageAtoms.cpp:82:22: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (pos.capacity() < nTot) ~~~~~~~~~~~~~~~^~~~~~ In file included from Basics/AsapPython.h:44, from Basics/ImageAtoms.h:31, from Basics/ImageAtoms.cpp:27: Basics/ImageAtoms.cpp:84:30: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(allpositions.size() >= nTot); ~~~~~~~~~~~~~~~~~~~~^~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/ImageAtoms.cpp:86:21: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(pos.size() == nTot); ~~~~~~~~~~~^~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/ImageAtoms.cpp: In member function 'virtual void AsapNS::ImageAtoms::GetScaledPositions(std::vector&, bool)': Basics/ImageAtoms.cpp:95:30: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(allpositions.size() >= n); ~~~~~~~~~~~~~~~~~~~~^~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/ImageAtoms.cpp:97:22: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (pos.capacity() < n) ~~~~~~~~~~~~~~~^~~ In file included from Basics/AsapPython.h:44, from Basics/ImageAtoms.h:31, from Basics/ImageAtoms.cpp:27: Basics/ImageAtoms.cpp: In member function 'void AsapNS::ImageAtoms::make_images(double)': Basics/ImageAtoms.cpp:170:33: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(scaledPositions.size() == nAtoms + nGhosts); ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/ImageAtoms.cpp:221:31: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (allpositions.capacity() < nSize) ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~ Basics/ImageAtoms.cpp:223:29: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (allnumbers.capacity() < nSize) ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~ In file included from Basics/AsapPython.h:44, from Basics/ImageAtoms.h:31, from Basics/ImageAtoms.cpp:27: Basics/ImageAtoms.cpp: In member function 'void AsapNS::ImageAtoms::update_images()': Basics/ImageAtoms.cpp:238:30: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(allpositions.size() <= nSize); ~~~~~~~~~~~~~~~~~~~~^~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/ImageAtoms.cpp:241:41: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(orig_atoms_translations.size() == nAtoms + nGhosts); ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/ImagePotential.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/ImagePotential.o Basics/ImagePotential.cpp: In instantiation of 'void AsapNS::ImagePotential::CollectFromImages(std::vector&) [with T = AsapNS::Vec]': Basics/ImagePotential.cpp:93:38: required from here Basics/ImagePotential.cpp:139:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < orig_map.size(); i++) ~~^~~~~~~~~~~~~~~~~ Basics/ImagePotential.cpp: In instantiation of 'void AsapNS::ImagePotential::CollectFromImages(std::vector&) [with T = AsapNS::SymTensor]': Basics/ImagePotential.cpp:118:45: required from here Basics/ImagePotential.cpp:139:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/Langevin.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Langevin.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/Matrix3x3.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Matrix3x3.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/MolecularDynamics.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/MolecularDynamics.o In file included from Basics/AsapPython.h:44, from Basics/MolecularDynamics.h:30, from Basics/MolecularDynamics.cpp:27: Basics/MolecularDynamics.cpp: In member function 'bool AsapNS::MolecularDynamics::CallObservers(PyObject*)': Basics/MolecularDynamics.cpp:237:12: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<_object*>::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(n == obs_kwargs.size()); ~~^~~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/MonteCarloAtoms.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/MonteCarloAtoms.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/NeighborCellLocator.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/NeighborCellLocator.o Basics/NeighborCellLocator.cpp: In destructor 'virtual AsapNS::NeighborCellLocator::~NeighborCellLocator()': Basics/NeighborCellLocator.cpp:87:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >*>::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < nbCells_onthefly.size(); ++i) ~~^~~~~~~~~~~~~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Basics/NeighborCellLocator.h:35, from Basics/NeighborCellLocator.cpp:30: Basics/NeighborCellLocator.cpp: In member function 'virtual void AsapNS::NeighborCellLocator::MakeList()': Basics/NeighborCellLocator.cpp:128:33: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(scaledPositions.size() == nAllAtoms); ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NeighborCellLocator.cpp:324:42: warning: comparison of integer expressions of different signedness: 'std::vector >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (cellLayoutChanged || (cells.size() != nTotalCells[3])) ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Basics/NeighborCellLocator.h:35, from Basics/NeighborCellLocator.cpp:30: Basics/NeighborCellLocator.cpp:335:27: warning: comparison of integer expressions of different signedness: 'std::vector >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(cells.size() == nTotalCells[3]); ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NeighborCellLocator.cpp:336:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < cells.size(); i++) ~~^~~~~~~~~~~~~~ Basics/NeighborCellLocator.cpp:372:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < cells.size(); i++) ~~^~~~~~~~~~~~~~ Basics/NeighborCellLocator.cpp: In member function 'void AsapNS::NeighborCellLocator::MakeNeighboringCellLists()': Basics/NeighborCellLocator.cpp:487:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >*>::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < nbCells_onthefly.size(); ++i) ~~^~~~~~~~~~~~~~~~~~~~~~~~~ Basics/NeighborCellLocator.cpp:490:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < cells.size(); i++) ~~^~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Basics/NeighborCellLocator.h:35, from Basics/NeighborCellLocator.cpp:30: Basics/NeighborCellLocator.cpp: In member function 'void AsapNS::NeighborCellLocator::ScaleAndNormalizePositions()': Basics/NeighborCellLocator.cpp:1041:33: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(scaledPositions.size() == nAllAtoms); ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NeighborCellLocator.cpp:1048:39: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (wrappedPositions.capacity() < spsz) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~ Basics/NeighborCellLocator.cpp:1051:38: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (offsetPositions.capacity() < spsz) ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~ Basics/NeighborCellLocator.cpp:1088:39: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (wrappedPositions.capacity() < spsz) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~ Basics/NeighborCellLocator.cpp:1091:44: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (scaledOffsetPositions.capacity() < spsz) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~ In file included from Basics/AsapPython.h:44, from Basics/NeighborCellLocator.h:35, from Basics/NeighborCellLocator.cpp:30: Basics/NeighborCellLocator.cpp: In member function 'void AsapNS::NeighborCellLocator::RenormalizePositions()': Basics/NeighborCellLocator.cpp:1263:37: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(referencePositions.size() == nAtoms); ~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NeighborCellLocator.cpp:1264:34: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(offsetPositions.size() == nAllAtoms); ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NeighborCellLocator.cpp:1281:38: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(wrappedPositions.size() == nAllAtoms); ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NeighborCellLocator.cpp: In member function 'virtual void AsapNS::NeighborCellLocator::print_info(int)': Basics/NeighborCellLocator.cpp:1412:33: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (referencePositions.size() > n) ~~~~~~~~~~~~~~~~~~~~~~~~~~^~~ Basics/NeighborCellLocator.cpp:1414:31: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (wrappedPositions.size() > n) ~~~~~~~~~~~~~~~~~~~~~~~~^~~ Basics/NeighborCellLocator.cpp:1416:30: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (scaledPositions.size() > n) ~~~~~~~~~~~~~~~~~~~~~~~^~~ Basics/NeighborCellLocator.cpp:1418:30: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (offsetPositions.size() > n) ~~~~~~~~~~~~~~~~~~~~~~~^~~ Basics/NeighborCellLocator.cpp:1420:36: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (scaledOffsetPositions.size() > n) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~ Basics/NeighborCellLocator.cpp: In member function 'virtual long int AsapNS::NeighborCellLocator::PrintMemory() const': Basics/NeighborCellLocator.cpp:1452:21: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (i->size() > longest) ~~~~~~~~~~^~~~~~~~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/NeighborList.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/NeighborList.o Basics/NeighborList.cpp: In member function 'virtual void AsapNS::NeighborList::MakeList()': Basics/NeighborList.cpp:126:19: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (nAllAtoms != nbList.size()) ~~~~~~~~~~^~~~~~~~~~~~~~~~ Basics/NeighborList.cpp:128:33: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (fulllists && (nAllAtoms != complNbList.size())) ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ Basics/NeighborList.cpp:200:29: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (nbList[i].capacity() < reservedLength) ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ Basics/NeighborList.cpp:210:38: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (complNbList[i].capacity() < reservedLength) ~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ Basics/NeighborList.cpp: In member function 'virtual int AsapNS::NeighborList::GetNeighbors(int, int*, AsapNS::Vec*, double*, int&, double) const': Basics/NeighborList.cpp:359:12: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (size < nbList[a1].size()) ~~~~~^~~~~~~~~~~~~~~~~~~ Basics/NeighborList.cpp: In member function 'virtual int AsapNS::NeighborList::GetFullNeighbors(int, int*, AsapNS::Vec*, double*, int&, double) const': Basics/NeighborList.cpp:479:12: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (size < nbList[a1].size() + complNbList[a1].size()) ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Basics/NeighborList.cpp: In member function 'void AsapNS::NeighborList::RemakeLists(const std::set&, std::set&)': Basics/NeighborList.cpp:626:35: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'const int' [-Wsign-compare] while ((NEIGHBOR_INDEX(*k) != *i) && (k != complNbList[NEIGHBOR_INDEX(*j)].end())) Basics/NeighborList.cpp:656:35: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'const int' [-Wsign-compare] while ((NEIGHBOR_INDEX(*k) != *i) && (k != nbList[NEIGHBOR_INDEX(*j)].end())) Basics/NeighborList.cpp: In member function 'void AsapNS::NeighborList::CheckFullListConsistency(std::__cxx11::string, bool)': Basics/NeighborList.cpp:757:28: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] while (NEIGHBOR_INDEX(*k) != i && k != k_end) Basics/NeighborList.cpp:759:25: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] if (NEIGHBOR_INDEX(*k) != i) Basics/NeighborList.cpp:796:28: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] while (NEIGHBOR_INDEX(*k) != i && k != k_end) Basics/NeighborList.cpp:798:25: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] if (NEIGHBOR_INDEX(*k) != i) Basics/NeighborList.cpp: In member function 'virtual void AsapNS::NeighborList::print_info(int)': Basics/NeighborList.cpp:835:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < nbList[n].size(); i++) ~~^~~~~~~~~~~~~~~~~~ Basics/NeighborList.cpp:841:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < complNbList[n].size(); i++) ~~^~~~~~~~~~~~~~~~~~~~~~~ Basics/NeighborList.cpp: In member function 'void AsapNS::NeighborList::update_translationvectors()': Basics/NeighborList.cpp:911:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < translationTable.size(); i++) ~~^~~~~~~~~~~~~~~~~~~~~~~~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/NeighborList2013.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/NeighborList2013.o Basics/NeighborList2013.cpp: In member function 'virtual int AsapNS::NeighborList2013::GetNeighbors(int, int*, AsapNS::Vec*, double*, int&, double) const': Basics/NeighborList2013.cpp:33:12: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (size < nbList[a1].size()) ~~~~~^~~~~~~~~~~~~~~~~~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/NormalAtoms.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/NormalAtoms.o Basics/NormalAtoms.cpp: In member function 'virtual bool AsapNS::NormalAtoms::check_numbers(PyArrayObject*, PyArrayObject*, bool)': Basics/NormalAtoms.cpp:427:22: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (numbers.size() != nAtoms+nGhosts) ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ Basics/NormalAtoms.cpp: In member function 'virtual bool AsapNS::NormalAtoms::check_positions(PyArrayObject*, PyArrayObject*, bool)': Basics/NormalAtoms.cpp:472:40: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] bool pos_resized = (positions.size() != nAtoms+nGhosts); ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Basics/NormalAtoms.cpp:27: Basics/NormalAtoms.cpp: In member function 'virtual void AsapNS::NormalAtoms::GetPositions(std::vector&, bool) const': Basics/NormalAtoms.cpp:530:31: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(positions.size() == nAtoms + nGhosts); ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NormalAtoms.cpp:531:26: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (pos.capacity() < nAtoms + nGhosts) ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ Basics/NormalAtoms.cpp:537:26: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'const int' [-Wsign-compare] if (pos.capacity() < nAtoms) ~~~~~~~~~~~~~~~^~~~~~~~ In file included from Basics/AsapPython.h:44, from Basics/NormalAtoms.cpp:27: Basics/NormalAtoms.cpp:540:25: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'const int' [-Wsign-compare] ASSERT(pos.size() == nAtoms); ~~~~~~~~~~~^~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NormalAtoms.cpp: In member function 'virtual void AsapNS::NormalAtoms::GetScaledPositions(std::vector&, bool)': Basics/NormalAtoms.cpp:552:27: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(positions.size() >= n); ~~~~~~~~~~~~~~~~~^~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Basics/NormalAtoms.cpp:554:22: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (pos.capacity() < n) ~~~~~~~~~~~~~~~^~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/RandomNumbers.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/RandomNumbers.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/Timing.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Timing.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/Vec.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Vec.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Basics/VelocityVerlet.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/VelocityVerlet.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/BrennerPotential.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/BrennerPotential.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/bcuint.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/bcuint.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/caguts.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/caguts.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/expand.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/expand.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/inter2d_iv.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/inter2d_iv.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/mtable.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/mtable.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/pibond.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/pibond.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/radic.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/radic.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/radicdata.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/radicdata.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/sili_germ.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/sili_germ.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Brenner/spgch.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/spgch.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/DynamicsInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/DynamicsInterface.o In file included from Basics/AsapPython.h:44, from Interface/DynamicsInterface.h:29, from Interface/DynamicsInterface.cpp:26: Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorDouble(const std::vector&)': Interface/PythonConversions.h:48:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(double)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorInt(const std::vector&)': Interface/PythonConversions.h:59:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(int)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorChar(const std::vector&)': Interface/PythonConversions.h:71:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(char)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorVec(const std::vector&)': Interface/PythonConversions.h:84:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(Vec)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorSymTensor(const std::vector&)': Interface/PythonConversions.h:97:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(SymTensor)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/DynamicsInterface.cpp: In function 'int AsapNS::PyAsap_VelocityVerletInit(AsapNS::PyAsap_DynamicsObject*, PyObject*, PyObject*)': Interface/DynamicsInterface.cpp:72:63: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"atoms", "calc", "timestep", NULL}; ^ Interface/DynamicsInterface.cpp:72:63: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:72:63: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp: In function 'int AsapNS::PyAsap_LangevinInit(AsapNS::PyAsap_DynamicsObject*, PyObject*, PyObject*)': Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"atoms", "calc", "timestep", "sdpos", "sdmom", "c1", "c2", "fixcm", "seed", NULL}; ^ Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:111:108: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp: In function 'PyObject* AsapNS::PyAsap_DynamicsRun(AsapNS::PyAsap_DynamicsObject*, PyObject*, PyObject*)': Interface/DynamicsInterface.cpp:157:63: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"steps", "observers", "dyn", NULL}; ^ Interface/DynamicsInterface.cpp:157:63: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:157:63: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp: In function 'PyObject* AsapNS::PyAsap_LgvSetScalarConstants(AsapNS::PyAsap_DynamicsObject*, PyObject*, PyObject*)': Interface/DynamicsInterface.cpp:185:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"act0", "c3", "c4", "pmcor", "cnst", NULL}; ^ Interface/DynamicsInterface.cpp:185:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:185:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:185:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:185:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp: In function 'PyObject* AsapNS::PyAsap_LgvSetVectorConstants(AsapNS::PyAsap_DynamicsObject*, PyObject*, PyObject*)': Interface/DynamicsInterface.cpp:209:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"act0", "c3", "c4", "pmcor", "cnst", NULL}; ^ Interface/DynamicsInterface.cpp:209:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:209:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:209:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp:209:71: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/DynamicsInterface.cpp: In function 'PyObject* AsapNS::PyAsap_LgvGetRandom(AsapNS::PyAsap_DynamicsObject*, PyObject*, PyObject*)': Interface/DynamicsInterface.cpp:246:44: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"gaussian", NULL}; ^ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/EMTParameterProviderInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/EMTParameterProviderInterface.o In file included from Basics/AsapPython.h:44, from Interface/EMTParameterProviderInterface.cpp:28: Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorDouble(const std::vector&)': Interface/PythonConversions.h:48:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(double)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorInt(const std::vector&)': Interface/PythonConversions.h:59:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(int)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorChar(const std::vector&)': Interface/PythonConversions.h:71:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(char)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorVec(const std::vector&)': Interface/PythonConversions.h:84:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(Vec)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorSymTensor(const std::vector&)': Interface/PythonConversions.h:97:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(SymTensor)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/ExceptionInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/ExceptionInterface.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/NeighborLocatorInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/NeighborLocatorInterface.o In file included from Basics/AsapPython.h:44, from Interface/NeighborLocatorInterface.cpp:27: Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorDouble(const std::vector&)': Interface/PythonConversions.h:48:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(double)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorInt(const std::vector&)': Interface/PythonConversions.h:59:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(int)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorChar(const std::vector&)': Interface/PythonConversions.h:71:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(char)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorVec(const std::vector&)': Interface/PythonConversions.h:84:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(Vec)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorSymTensor(const std::vector&)': Interface/PythonConversions.h:97:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(SymTensor)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/NeighborLocatorInterface.cpp: In function 'PyObject* AsapNS::PyAsap_NewNeighborList_Py(PyObject*, PyObject*, PyObject*)': Interface/NeighborLocatorInterface.cpp:160:72: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"rCut", "atoms", "driftfactor", "full", NULL}; ^ Interface/NeighborLocatorInterface.cpp:160:72: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/NeighborLocatorInterface.cpp:160:72: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/NeighborLocatorInterface.cpp:160:72: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/NeighborLocatorInterface.cpp: In function 'PyObject* AsapNS::PyAsap_NewNeighborCellLocator_Serial(PyObject*, PyObject*, PyObject*)': Interface/NeighborLocatorInterface.cpp:211:64: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"rCut", "atoms", "driftfactor", NULL}; ^ Interface/NeighborLocatorInterface.cpp:211:64: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/NeighborLocatorInterface.cpp:211:64: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/NeighborLocatorInterface.cpp: In function 'PyObject* AsapNS::PyAsap_NBL_GetNBQuery(AsapNS::PyAsap_NeighborLocatorObject*, PyObject*, PyObject*)': Interface/NeighborLocatorInterface.cpp:390:56: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"query_points", "rCut", NULL}; ^ Interface/NeighborLocatorInterface.cpp:390:56: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/NeighborLocatorInterface.cpp: In function 'PyObject* AsapNS::PyAsap_NBL_GetNB(AsapNS::PyAsap_NeighborLocatorObject*, PyObject*, PyObject*)': Interface/NeighborLocatorInterface.cpp:481:45: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"n", "rCut", NULL}; ^ Interface/NeighborLocatorInterface.cpp:481:45: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/OpenMPInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/OpenMPInterface.o Interface/OpenMPInterface.cpp: In function 'PyObject* AsapNS::PyAsap_set_num_threads(PyObject*, PyObject*, PyObject*)': Interface/OpenMPInterface.cpp:82:51: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"n", "noaffinity", NULL}; ^ Interface/OpenMPInterface.cpp:82:51: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/PTMInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/PTMInterface.o Interface/PTMInterface.cpp: In function 'PyObject* AsapNS::PyAsap_PTMall(PyObject*, PyObject*, PyObject*)': Interface/PTMInterface.cpp:97:49: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] "return_nblist", "return_mappings", NULL}; ^ Interface/PTMInterface.cpp:97:49: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PTMInterface.cpp:97:49: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PTMInterface.cpp:97:49: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PTMInterface.cpp:97:49: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PTMInterface.cpp:97:49: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PTMInterface.cpp:97:49: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] In file included from /usr/local/include/python3.9/Python.h:48, from Basics/AsapPython.h:38, from Interface/PTMInterface.h:30, from Interface/PTMInterface.cpp:1: Interface/PTMInterface.cpp:299:14: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] assert(m < indices.size()); ~~^~~~~~~~~~~~~~~~ Interface/PTMInterface.cpp:301:28: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] assert(idx >= 0 && idx < indices.size()); ~~~~^~~~~~~~~~~~~~~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/PotentialInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/PotentialInterface.o In file included from Basics/AsapPython.h:44, from Interface/PotentialInterface.cpp:29: Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorDouble(const std::vector&)': Interface/PythonConversions.h:48:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(double)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorInt(const std::vector&)': Interface/PythonConversions.h:59:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(int)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorChar(const std::vector&)': Interface/PythonConversions.h:71:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(char)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorVec(const std::vector&)': Interface/PythonConversions.h:84:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(Vec)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorSymTensor(const std::vector&)': Interface/PythonConversions.h:97:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(SymTensor)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PotentialInterface.cpp: In function 'int PyAsap_EMTInit(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:202:51: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"prov", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:202:51: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'int PyAsap_EMT2013Init(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:235:76: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"parameters", "no_new_elements", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:235:76: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:235:76: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'int PyAsap_MonteCarloEMTInit(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:271:51: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"prov", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:271:51: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'int PyAsap_RGLInit(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] "rcs", "rce", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:294:57: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'int PyAsap_LennardJonesInit(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:357:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] "masses", "rCut", "modified", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:357:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:357:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:357:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:357:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:357:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:357:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:357:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'int PyAsap_RahmanStillingerLembergInit(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] "elements", "masses", "rCut", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:398:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'int PyAsap_MetalOxideInterfaceInit(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] "beta", "gamma", "interface_cut", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:505:53: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'int PyAsap_MetalOxideInterface2Init(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] "interface_cut", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:572:36: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'int PyAsap_MorseInit(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:649:42: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] "rCut", "modified", "verbose", NULL}; ^ Interface/PotentialInterface.cpp:649:42: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:649:42: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:649:42: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:649:42: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:649:42: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp:649:42: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'PyObject* PyAsap_PotentialGetPotentialEnergy(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:711:63: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char* argnames[] = {"atoms", "force_consistent", NULL}; ^ Interface/PotentialInterface.cpp:711:63: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] Interface/PotentialInterface.cpp: In function 'PyObject* PyAsap_PotentialGetExtra(AsapNS::PyAsap_PotentialObject*, PyObject*)': Interface/PotentialInterface.cpp:863:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < s1.size(); i++) ~~^~~~~~~~~~~ Interface/PotentialInterface.cpp: In function 'PyObject* PyAsap_PotentialCheckUpdateNbList(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': Interface/PotentialInterface.cpp:955:43: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char* argnames[] = {"atoms", NULL}; ^ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/PythonConversions.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/PythonConversions.o In file included from Basics/AsapPython.h:44, from Interface/PythonConversions.h:30, from Interface/PythonConversions.cpp:24: Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorDouble(const std::vector&)': Interface/PythonConversions.h:48:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(double)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorInt(const std::vector&)': Interface/PythonConversions.h:59:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(int)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorChar(const std::vector&)': Interface/PythonConversions.h:71:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(char)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorVec(const std::vector&)': Interface/PythonConversions.h:84:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(Vec)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorSymTensor(const std::vector&)': Interface/PythonConversions.h:97:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(SymTensor)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/RDFInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/RDFInterface.o In file included from Basics/AsapPython.h:44, from Interface/RDFInterface.h:30, from Interface/RDFInterface.cpp:27: Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorDouble(const std::vector&)': Interface/PythonConversions.h:48:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(double)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorInt(const std::vector&)': Interface/PythonConversions.h:59:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(int)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorChar(const std::vector&)': Interface/PythonConversions.h:71:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(char)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorVec(const std::vector&)': Interface/PythonConversions.h:84:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(Vec)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorSymTensor(const std::vector&)': Interface/PythonConversions.h:97:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(SymTensor)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Interface/ToolsInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/ToolsInterface.o In file included from Basics/AsapPython.h:44, from Interface/ToolsInterface.cpp:27: Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorDouble(const std::vector&)': Interface/PythonConversions.h:48:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(double)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorInt(const std::vector&)': Interface/PythonConversions.h:59:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(int)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorChar(const std::vector&)': Interface/PythonConversions.h:71:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(char)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorVec(const std::vector&)': Interface/PythonConversions.h:84:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(Vec)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorSymTensor(const std::vector&)': Interface/PythonConversions.h:97:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(SymTensor)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/ToolsInterface.cpp: In function 'int AsapNS::PyAsap_FullCNAInit(AsapNS::PyAsap_FullCNAObject*, PyObject*, PyObject*)': Interface/ToolsInterface.cpp:92:51: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"atoms", "cutoff", NULL}; ^ Interface/ToolsInterface.cpp:92:51: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/alloy_types.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/alloy_types.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/canonical.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/canonical.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/convex_hull_incremental.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/convex_hull_incremental.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/deformation_gradient.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/deformation_gradient.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/graph_data.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/graph_data.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/index_ptm.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/index_ptm.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/initialize_data.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/initialize_data.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/neighbour_ordering.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/neighbour_ordering.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/normalize_vertices.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/normalize_vertices.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/qcprot/polar.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/qcprot/polar.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/qcprot/quat.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/qcprot/quat.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c PTM/voronoi/cell.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/voronoi/cell.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Parallel/AsapMPI.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel/AsapMPI.o In file included from Basics/AsapPython.h:44, from Parallel/AsapMPI.cpp:27: Parallel/AsapMPI.cpp: In member function 'void AsapNS::Communicator::AllToAll(std::vector&, std::vector&, int)': Parallel/AsapMPI.cpp:313:25: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(sendbuf.size() == size * nProcessors); ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Parallel/AsapMPI.cpp: In member function 'void AsapNS::Communicator::AllGather(std::vector&, std::vector&, int)': Parallel/AsapMPI.cpp:329:25: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(sendbuf.size() == size); ~~~~~~~~~~~~~~~^~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Parallel/ParallelAtoms.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel/ParallelAtoms.o In file included from Basics/AsapPython.h:44, from Parallel/ParallelAtoms.h:28, from Parallel/ParallelAtoms.cpp:24: Parallel/ParallelAtoms.cpp: In member function 'void AsapNS::ParallelAtoms::Migrate(bool)': Parallel/ParallelAtoms.cpp:266:28: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] (sendlist->size() < nProcessors)); ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Parallel/ParallelAtoms.cpp:343:22: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int j = 0; j < arrays.size(); j++) ~~^~~~~~~~~~~~~~~ Parallel/ParallelAtoms.cpp:363:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int j = 0; j < new_arrays.size(); j++) ~~^~~~~~~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Parallel/ParallelAtoms.h:28, from Parallel/ParallelAtoms.cpp:24: Parallel/ParallelAtoms.cpp:370:17: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(b - b0 == receiveBuffer.size()); ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Parallel/ParallelAtoms.cpp: In member function 'void AsapNS::ParallelAtoms::UpdateGhostData()': Parallel/ParallelAtoms.cpp:634:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < array_names.size(); i++) ~~^~~~~~~~~~~~~~~~~~~~ Parallel/ParallelAtoms.cpp:655:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int dp = 0; dp < sendlist->size(); dp++) ~~~^~~~~~~~~~~~~~~~~~ Parallel/ParallelAtoms.cpp:662:29: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int arr = 0; arr < array_names.size(); arr++) ~~~~^~~~~~~~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Parallel/ParallelAtoms.h:28, from Parallel/ParallelAtoms.cpp:24: Parallel/ParallelAtoms.cpp:674:33: warning: comparison of integer expressions of different signedness: 'long int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(b - &sendBuffer[0] == sendBuffer.size()); ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Parallel/ParallelAtoms.cpp:684:29: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int arr = 0; arr < array_names.size(); arr++) ~~~~^~~~~~~~~~~~~~~~~~~~ Parallel/ParallelAtoms.cpp: In member function 'virtual void AsapNS::ParallelAtoms::CommunicateData(double*, int)': Parallel/ParallelAtoms.cpp:748:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int dp = 0; dp < sendlist->size(); dp++) ~~~^~~~~~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Parallel/ParallelAtoms.h:28, from Parallel/ParallelAtoms.cpp:24: Parallel/ParallelAtoms.cpp: In member function 'void AsapNS::ParallelAtoms::CollectFromGhosts(std::vector&)': Parallel/ParallelAtoms.cpp:1139:22: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(data.size() == nAtoms + nGhosts); ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Parallel/ParallelAtoms.cpp:1145:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int dp = 0; dp < recvlist->size(); dp++) ~~~^~~~~~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Parallel/ParallelAtoms.h:28, from Parallel/ParallelAtoms.cpp:24: Parallel/ParallelAtoms.cpp: In member function 'void AsapNS::ParallelAtoms::CollectFromGhosts(std::vector&)': Parallel/ParallelAtoms.cpp:1172:22: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(data.size() == nAtoms + nGhosts); ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Parallel/ParallelAtoms.cpp:1178:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int dp = 0; dp < recvlist->size(); dp++) ~~~^~~~~~~~~~~~~~~~~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Parallel/ParallelPotential.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel/ParallelPotential.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Parallel/RegularGridDecomposition.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel/RegularGridDecomposition.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c ParallelInterface/AsapParallel.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/AsapParallel.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c ParallelInterface/ParallelAtomsInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/ParallelAtomsInterface.o ParallelInterface/ParallelAtomsInterface.cpp: In function 'PyObject* AsapNS::PyAsap_DistributeAtoms(PyObject*, PyObject*, PyObject*)': ParallelInterface/ParallelAtomsInterface.cpp:39:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"atoms", "verbose", NULL}; ^ ParallelInterface/ParallelAtomsInterface.cpp:39:52: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c ParallelInterface/ParallelNeighborListInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/ParallelNeighborListInterface.o In file included from Basics/AsapPython.h:44, from ParallelInterface/ParallelNeighborListInterface.cpp:2: Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorDouble(const std::vector&)': Interface/PythonConversions.h:48:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(double)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorInt(const std::vector&)': Interface/PythonConversions.h:59:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(int)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorChar(const std::vector&)': Interface/PythonConversions.h:71:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size*sizeof(char)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorVec(const std::vector&)': Interface/PythonConversions.h:84:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(Vec)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Interface/PythonConversions.h: In function 'PyObject* AsapNS::PyAsap_ArrayFromVectorSymTensor(const std::vector&)': Interface/PythonConversions.h:97:48: warning: comparison of integer expressions of different signedness: 'npy_intp' {aka 'long int'} and 'long unsigned int' [-Wsign-compare] ASSERT(PyArray_NBYTES((PyArrayObject *) res) == size[0]*sizeof(SymTensor)); Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ ParallelInterface/ParallelNeighborListInterface.cpp: In function 'PyObject* PyAsap_NewNeighborCellLocator_Parallel(PyObject*, PyObject*, PyObject*)': ParallelInterface/ParallelNeighborListInterface.cpp:18:64: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"rCut", "atoms", "driftfactor", NULL}; ^ ParallelInterface/ParallelNeighborListInterface.cpp:18:64: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/ParallelNeighborListInterface.cpp:18:64: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c ParallelInterface/ParallelPotentialInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/ParallelPotentialInterface.o ParallelInterface/ParallelPotentialInterface.cpp: In function 'int PyAsap_ParPotInit(AsapNS::PyAsap_PotentialObject*, PyObject*, PyObject*)': ParallelInterface/ParallelPotentialInterface.cpp:48:56: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"potential", "verbose", NULL}; ^ ParallelInterface/ParallelPotentialInterface.cpp:48:56: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c ParallelInterface/mpimodule.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/mpimodule.o ParallelInterface/mpimodule.cpp: In function 'PyObject* mpi_receive(AsapNS::MPIObject*, PyObject*, PyObject*)': ParallelInterface/mpimodule.cpp:194:60: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"a", "src", "tag", "block", NULL}; ^ ParallelInterface/mpimodule.cpp:194:60: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:194:60: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:194:60: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp: In function 'PyObject* mpi_probe(AsapNS::MPIObject*, PyObject*, PyObject*)': ParallelInterface/mpimodule.cpp:242:55: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"src", "tag", "block", NULL}; ^ ParallelInterface/mpimodule.cpp:242:55: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:242:55: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp: In function 'PyObject* mpi_send(AsapNS::MPIObject*, PyObject*, PyObject*)': ParallelInterface/mpimodule.cpp:290:61: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"a", "dest", "tag", "block", NULL}; ^ ParallelInterface/mpimodule.cpp:290:61: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:290:61: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:290:61: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp: In function 'PyObject* mpi_sendreceive(AsapNS::MPIObject*, PyObject*, PyObject*)': ParallelInterface/mpimodule.cpp:333:11: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] NULL}; ^ ParallelInterface/mpimodule.cpp:333:11: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:333:11: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:333:11: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:333:11: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp:333:11: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] ParallelInterface/mpimodule.cpp: In function 'PyObject* mpi_reduce(AsapNS::MPIObject*, PyObject*, PyObject*, MPI_Op, int)': ParallelInterface/mpimodule.cpp:568:45: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] static char *kwlist[] = {"a", "root", NULL}; ^ ParallelInterface/mpimodule.cpp:568:45: warning: ISO C++ forbids converting a string constant to 'char*' [-Wwrite-strings] cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/EMT.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMT.o Potentials/EMT.cpp: In member function 'virtual void AsapNS::EMT::SetAtoms(PyObject*, AsapNS::Atoms*)': Potentials/EMT.cpp:193:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < parameters.size(); i++) ~~^~~~~~~~~~~~~~~~~~~ Potentials/EMT.cpp: In member function 'virtual void AsapNS::EMT::Allocate()': Potentials/EMT.cpp:242:13: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (nSize != force.size() || nAtoms != Eas.size()) ~~~~~~^~~~~~~~~~~~~~~ Potentials/EMT.cpp:242:39: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (nSize != force.size() || nAtoms != Eas.size()) ~~~~~~~^~~~~~~~~~~~~ Potentials/EMT.cpp:251:32: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (force.capacity() < nSize) ~~~~~~~~~~~~~~~~~^~~~~~~ Potentials/EMT.cpp:262:30: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (Eas.capacity() < nAtoms) ~~~~~~~~~~~~~~~^~~~~~~~ Potentials/EMT.cpp: In member function 'virtual void AsapNS::EMT::AllocateStress()': Potentials/EMT.cpp:302:41: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] if (ghostatoms && (virials.capacity() < nSize)) ~~~~~~~~~~~~~~~~~~~^~~~~~~ In file included from Basics/AsapPython.h:44, from Potentials/EMT.h:34, from Potentials/EMT.cpp:34: Potentials/EMT.cpp: In member function 'virtual void AsapNS::EMT::InitParameters()': Potentials/EMT.cpp:324:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::set::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(nelements == elements_set.size()); ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT.cpp: In member function 'virtual const std::vector& AsapNS::EMT::GetPotentialEnergies(PyObject*)': Potentials/EMT.cpp:538:22: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(Epot.size() == nAtoms); ~~~~~~~~~~~~^~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT.cpp: In member function 'virtual void AsapNS::EMT::CalculateEnergiesAfterSigmas(bool)': Potentials/EMT.cpp:1271:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(nAtoms == radius.size() && nAtoms == Ec.size() && ~~~~~~~^~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT.cpp:1271:48: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(nAtoms == radius.size() && nAtoms == Ec.size() && ~~~~~~~^~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT.cpp:1272:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] nSize == dEds.size()); ~~~~~~^~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT.cpp: In member function 'virtual void AsapNS::EMT::CalculateForcesAfterEnergies()': Potentials/EMT.cpp:1437:29: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(virials.size() == nSize); ~~~~~~~~~~~~~~~^~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT.cpp: In member function 'virtual void AsapNS::EMT::CalculateForcesAfterEnergiesSingle()': Potentials/EMT.cpp:1556:29: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(this->force.size() >= nSize); ~~~~~~~~~~~~~~~~~~~^~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT.cpp:1559:29: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(virials.size() == nSize); ~~~~~~~~~~~~~~~^~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/EMT2013.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMT2013.o In file included from Basics/AsapPython.h:44, from Potentials/EMT.h:34, from Potentials/EMT2013.h:13, from Potentials/EMT2013.cpp:8: Potentials/EMT2013.cpp: In member function 'virtual void AsapNS::EMT2013::InitParameters()': Potentials/EMT2013.cpp:105:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::set::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(nelements == elements_set.size()); ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT2013.cpp: In member function 'virtual void AsapNS::EMT2013::CalculateEnergiesAfterSigmas(bool)': Potentials/EMT2013.cpp:568:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(nAtoms == this->radius.size() && nAtoms == this->Ec.size() && ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT2013.cpp:568:54: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] ASSERT(nAtoms == this->radius.size() && nAtoms == this->Ec.size() && ~~~~~~~^~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/EMT2013.cpp:569:20: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] nSize == this->dEds.size()); ~~~~~~^~~~~~~~~~~~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/EMTDefaultParameterProvider.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMTDefaultParameterProvider.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/EMTPythonParameterProvider.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMTPythonParameterProvider.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/EMTRasmussenParameterProvider.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMTRasmussenParameterProvider.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/LennardJones.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/LennardJones.o Potentials/LennardJones.cpp: In member function 'virtual const std::vector& AsapNS::LennardJones::GetVirials(PyObject*)': Potentials/LennardJones.cpp:389:14: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (nAtoms != virials.size()) ~~~~~~~^~~~~~~~~~~~~~~~~ In file included from Basics/AsapPython.h:44, from Potentials/LennardJones.cpp:43: Potentials/LennardJones.cpp: In member function 'virtual const std::vector& AsapNS::LennardJones::GetForces(PyObject*)': Potentials/LennardJones.cpp:499:24: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(forces.size() == nSize); ~~~~~~~~~~~~~~^~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/LennardJones.cpp: In member function 'double AsapNS::LennardJones::CalculateEnergyAndEnergies()': Potentials/LennardJones.cpp:595:32: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(atomicEnergies.size() == nAtoms); ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/MetalOxideInterface.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/MetalOxideInterface.o In file included from Basics/AsapPython.h:44, from Potentials/MetalOxideInterface.cpp:29: Potentials/MetalOxideInterface.cpp: In member function 'virtual const std::vector& AsapNS::MetalOxideInterface::GetForces(PyObject*)': Potentials/MetalOxideInterface.cpp:328:26: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(forces.size() == nSize); ~~~~~~~~~~~~~~^~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/MetalOxideInterface.cpp: In member function 'double AsapNS::MetalOxideInterface::CalculateEnergyAndEnergies()': Potentials/MetalOxideInterface.cpp:583:34: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(atomicEnergies.size() == nAtoms); ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/MetalOxideInterface2.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/MetalOxideInterface2.o In file included from Basics/AsapPython.h:44, from Potentials/MetalOxideInterface2.cpp:43: Potentials/MetalOxideInterface2.cpp: In member function 'virtual const std::vector& AsapNS::MetalOxideInterface2::GetForces(PyObject*)': Potentials/MetalOxideInterface2.cpp:343:26: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(forces.size() == nSize); ~~~~~~~~~~~~~~^~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/MetalOxideInterface2.cpp: In member function 'double AsapNS::MetalOxideInterface2::CalculateEnergyAndEnergies()': Potentials/MetalOxideInterface2.cpp:565:34: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(atomicEnergies.size() == nAtoms); ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/MonteCarloEMT.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/MonteCarloEMT.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/Morse.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/Morse.o In file included from Basics/AsapPython.h:44, from Potentials/Morse.cpp:43: Potentials/Morse.cpp: In member function 'double AsapNS::Morse::CalculateEnergyAndEnergies()': Potentials/Morse.cpp:484:32: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(atomicEnergies.size() == nAtoms); ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/Potential.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/Potential.o Potentials/Potential.cpp: In member function 'virtual AsapNS::SymTensor AsapNS::Potential::GetVirial(PyObject*)': Potentials/Potential.cpp:52:21: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] for (int i = 0; i < virials.size(); i++) ~~^~~~~~~~~~~~~~~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/RGL.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/RGL.o Potentials/RGL.cpp: In member function 'void AsapNS::RGL::Allocate()': Potentials/RGL.cpp:127:13: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (nSize != forces.size() || nAtoms != epot.size()) { ~~~~~~^~~~~~~~~~~~~~~~ Potentials/RGL.cpp:127:40: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] if (nSize != forces.size() || nAtoms != epot.size()) { ~~~~~~~^~~~~~~~~~~~~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Potentials/RahmanStillingerLemberg.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/RahmanStillingerLemberg.o In file included from Basics/AsapPython.h:44, from Potentials/RahmanStillingerLemberg.cpp:43: Potentials/RahmanStillingerLemberg.cpp: In member function 'virtual const std::vector& AsapNS::RahmanStillingerLemberg::GetForces(PyObject*)': Potentials/RahmanStillingerLemberg.cpp:368:26: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(forces.size() == nSize); ~~~~~~~~~~~~~~^~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Potentials/RahmanStillingerLemberg.cpp: In member function 'double AsapNS::RahmanStillingerLemberg::CalculateEnergyAndEnergies()': Potentials/RahmanStillingerLemberg.cpp:465:34: warning: comparison of integer expressions of different signedness: 'std::vector::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(atomicEnergies.size() == nAtoms); ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Tools/CNA.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/CNA.o Tools/CNA.cpp: In function 'void AsapNS::CNA(PyObject*, double, std::vector&)': Tools/CNA.cpp:60:32: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] for (unsigned int a2 = 0; a2 < nTotal; a2++) ~~~^~~~~~~~ Tools/CNA.cpp:70:11: warning: comparison of integer expressions of different signedness: 'int' and 'unsigned int' [-Wsign-compare] if (a1 < a2) ~~~^~~~ Tools/CNA.cpp:90:38: warning: comparison of integer expressions of different signedness: 'unsigned int' and 'int' [-Wsign-compare] for (unsigned int j1 = 0; j1 < j2; j1++) ~~~^~~~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Tools/CoordinationNumbers.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/CoordinationNumbers.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Tools/FullCNA.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/FullCNA.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Tools/GetNeighborList.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/GetNeighborList.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Tools/RawRadialDistribution.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/RawRadialDistribution.o In file included from Basics/AsapPython.h:44, from Tools/RawRadialDistribution.cpp:29: Tools/RawRadialDistribution.cpp: In function 'void AsapNS::RawRadialDistribution(PyObject*, int, const int*, double, int, AsapNS::RDFtype&, AsapNS::RDFcountType&, long int*)': Tools/RawRadialDistribution.cpp:55:24: warning: comparison of integer expressions of different signedness: 'std::vector, long int*> >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(result.size() == nGroups); ~~~~~~~~~~~~~~^~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ Tools/RawRadialDistribution.cpp:56:24: warning: comparison of integer expressions of different signedness: 'std::vector >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] ASSERT(counts.size() == nGroups); ~~~~~~~~~~~~~~^~~~~~~~~~ Basics/Exception.h:157:26: note: in definition of macro 'ASSERT' #define ASSERT(EX) if (!(EX)) \ ^~ cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c Tools/SecondaryNeighborLocator.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/SecondaryNeighborLocator.o cc -Wno-unused-result -Wsign-compare -DNDEBUG -pipe -I/usr/local/include -I/usr/local/include/ncurses -O2 -fno-strict-aliasing -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -fPIC -UNDEBUG -IBasics -IPotentials -IInterface -IBrenner -ITools -IPTM -IPTM/qcprot -IPTM/voronoi -I/usr/local/lib/python3.9/site-packages/numpy/core/include -IParallel -IParallelInterface -I/usr/local/include/python3.9 -c VersionInfo_autogen/version_sting.dragonflybsd.org_p.cpp -o build/temp.dragonfly-6.5-x86_64-cpython-39/VersionInfo_autogen/version_sting.dragonflybsd.org_p.o c++ -shared -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/AsapObject.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Debug.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/DynamicAtoms.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Exception.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/ImageAtoms.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/ImagePotential.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Langevin.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Matrix3x3.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/MolecularDynamics.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/MonteCarloAtoms.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/NeighborCellLocator.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/NeighborList.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/NeighborList2013.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/NormalAtoms.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/RandomNumbers.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Timing.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/Vec.o build/temp.dragonfly-6.5-x86_64-cpython-39/Basics/VelocityVerlet.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/BrennerPotential.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/bcuint.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/caguts.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/expand.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/inter2d_iv.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/mtable.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/pibond.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/radic.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/radicdata.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/sili_germ.o build/temp.dragonfly-6.5-x86_64-cpython-39/Brenner/spgch.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/DynamicsInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/EMTParameterProviderInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/ExceptionInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/NeighborLocatorInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/OpenMPInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/PTMInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/PotentialInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/PythonConversions.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/RDFInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Interface/ToolsInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/alloy_types.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/canonical.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/convex_hull_incremental.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/deformation_gradient.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/graph_data.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/index_ptm.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/initialize_data.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/neighbour_ordering.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/normalize_vertices.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/qcprot/polar.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/qcprot/quat.o build/temp.dragonfly-6.5-x86_64-cpython-39/PTM/voronoi/cell.o build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel/AsapMPI.o build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel/ParallelAtoms.o build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel/ParallelPotential.o build/temp.dragonfly-6.5-x86_64-cpython-39/Parallel/RegularGridDecomposition.o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/AsapParallel.o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/ParallelAtomsInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/ParallelNeighborListInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/ParallelPotentialInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/ParallelInterface/mpimodule.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMT.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMT2013.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMTDefaultParameterProvider.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMTPythonParameterProvider.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/EMTRasmussenParameterProvider.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/LennardJones.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/MetalOxideInterface.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/MetalOxideInterface2.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/MonteCarloEMT.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/Morse.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/Potential.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/RGL.o build/temp.dragonfly-6.5-x86_64-cpython-39/Potentials/RahmanStillingerLemberg.o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/CNA.o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/CoordinationNumbers.o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/FullCNA.o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/GetNeighborList.o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/RawRadialDistribution.o build/temp.dragonfly-6.5-x86_64-cpython-39/Tools/SecondaryNeighborLocator.o build/temp.dragonfly-6.5-x86_64-cpython-39/VersionInfo_autogen/version_sting.dragonflybsd.org_p.o -L/usr/local/lib -lm -o build/lib.dragonfly-6.5-x86_64-cpython-39/_asap.cpython-39.so running build_scripts creating build/scripts-3.9 copying and adjusting scripts/asap-qsub -> build/scripts-3.9 copying and adjusting scripts/asap-sbatch -> build/scripts-3.9 changing mode of build/scripts-3.9/asap-qsub from 644 to 755 changing mode of build/scripts-3.9/asap-sbatch from 644 to 755 SUCCEEDED 00:03:07 ------------------------------------------------------------------------------- -- Phase: run-depends ------------------------------------------------------------------------------- ===> py39-asap3-3.12.8_1 depends on package: py39-numpy>=1.16,1<1.25,1 - found ===> py39-asap3-3.12.8_1 depends on package: py39-ase>0 - found ===> py39-asap3-3.12.8_1 depends on package: py39-setuptools>=63.1.0 - found ===> py39-asap3-3.12.8_1 depends on file: /usr/local/bin/python3.9 - found SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: stage ------------------------------------------------------------------------------- ===> Staging for py39-asap3-3.12.8_1 ===> py39-asap3-3.12.8_1 depends on package: py39-numpy>=1.16,1<1.25,1 - found ===> py39-asap3-3.12.8_1 depends on package: py39-ase>0 - found ===> py39-asap3-3.12.8_1 depends on package: py39-setuptools>=63.1.0 - found ===> py39-asap3-3.12.8_1 depends on file: /usr/local/bin/python3.9 - found ===> Generating temporary packing list Asap version number: 3.12.8 customize-local.py not found - this is OK. customize-sting.dragonflybsd.org.py not found - this is OK. Reading customization from customize.py Setting CC=mpicxx -pthread Setting CXX=mpicxx -pthread Setting LDSHARED=mpicxx -pthread -shared -L/usr/local/lib -Wl,-rpath=/usr/local/lib -L/usr/local/lib -Wl,-rpath,/usr/local/lib Setting LDCXXSHARED=mpicxx -pthread -shared /bin/sh: pkg-config: not found Identifying source files Identifying Python submodules running install /usr/local/lib/python3.9/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools. warnings.warn( running build running build_py running build_ext running build_scripts running install_lib creating /construction/science/py-asap3/stage/usr/local/lib/python3.9 creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/EMT2011Parameters.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/EMT2011_py.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/EMT2013Parameters.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/GuptaParameters.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/constraints.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/fixepydoc.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/memory.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/mpi.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/testtools.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/timing.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/version.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3 creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/BuiltinPotentials.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/Builtins.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/CheckArray.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/Collector.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/EMTParameters.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/ListOfElements.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/MonteCarloAtoms.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/OpenKIMcalculator.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/ParallelListOfAtoms.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/Subject.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/Threads.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/UtilityFunctions.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/checkversion.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/Compatibility copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Internal/Compatibility/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/Compatibility creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Base.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Basin.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Metropolis.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Start.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Base.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Surface.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Data copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Data/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Data copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Data/fcc.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Data copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/MonteCarlo/Moves/Data/symmetry.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Data creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/AsapFileToTrajectory.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/AtomicEnergies.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/EMT_two_atom_test.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ElasticConstants.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/MaterialProperties.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/OptimizationDatabase.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/SurfaceEnergies.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/Timing.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/niflheim.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/EMT.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/GetParameters.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/Optimization.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/Performance.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/Quantities.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/RGL.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/Sampling.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/ScipyFmin.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/Search.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/SearchParallel.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/Tools/ParameterOptimization/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/averagepositions.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/clusterposition.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/cutcluster.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/findcluster.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/localstructure.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/particle.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/ptm.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/analysis/rdf.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io/ReadOldFiles.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io/bundletrajectory.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io/cpu_setup.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/io/trajectory.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md/langevin.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md/md.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md/npt.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md/nptberendsen.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md/nvtberendsen.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md/velocitydistribution.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/md/verlet.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/AdsCalc.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/Logger.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/atommontecarlodata.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/cluster.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/clusteratom.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/langmuirExpression.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/mc_result.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/resizecluster.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data/au.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data/fcc.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/data/symmetry.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/montecarlo copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/montecarlo/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/montecarlo copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/montecarlo/atom.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/montecarlo copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/nanoparticle_mc/montecarlo/surface.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/montecarlo creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize/fire.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize/mdmin.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/optimize/optimize.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/VelocityDistribution.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/dislocation.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/displacementfield.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/multidislocation.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/dislocated.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/energy.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/grain_structures.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/helpers.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/nanocrystalline.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/nanocrystalline_orig.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/plane_utils.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/setup/nanocrystalline/quat_utils.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline creating /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize/__init__.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize/colortable.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize/fieldplotter.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize copying build/lib.dragonfly-6.5-x86_64-cpython-39/asap3/visualize/primiplotter.py -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize copying build/lib.dragonfly-6.5-x86_64-cpython-39/_asap.cpython-39.so -> /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/EMT2011Parameters.py to EMT2011Parameters.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/EMT2011_py.py to EMT2011_py.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/EMT2013Parameters.py to EMT2013Parameters.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/GuptaParameters.py to GuptaParameters.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/constraints.py to constraints.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/fixepydoc.py to fixepydoc.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/memory.py to memory.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/mpi.py to mpi.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/testtools.py to testtools.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/timing.py to timing.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/version.py to version.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/BuiltinPotentials.py to BuiltinPotentials.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/Builtins.py to Builtins.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/CheckArray.py to CheckArray.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/Collector.py to Collector.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/EMTParameters.py to EMTParameters.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/ListOfElements.py to ListOfElements.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/MonteCarloAtoms.py to MonteCarloAtoms.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/OpenKIMcalculator.py to OpenKIMcalculator.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/ParallelListOfAtoms.py to ParallelListOfAtoms.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/Subject.py to Subject.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/Threads.py to Threads.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/UtilityFunctions.py to UtilityFunctions.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/checkversion.py to checkversion.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Internal/Compatibility/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Base.py to Base.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Basin.py to Basin.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Metropolis.py to Metropolis.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Start.py to Start.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Base.py to Base.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Surface.py to Surface.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Data/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Data/fcc.py to fcc.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/MonteCarlo/Moves/Data/symmetry.py to symmetry.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/AsapFileToTrajectory.py to AsapFileToTrajectory.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/AtomicEnergies.py to AtomicEnergies.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/EMT_two_atom_test.py to EMT_two_atom_test.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ElasticConstants.py to ElasticConstants.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/MaterialProperties.py to MaterialProperties.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/OptimizationDatabase.py to OptimizationDatabase.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/SurfaceEnergies.py to SurfaceEnergies.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/Timing.py to Timing.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/niflheim.py to niflheim.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/EMT.py to EMT.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/GetParameters.py to GetParameters.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/Optimization.py to Optimization.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/Performance.py to Performance.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/Quantities.py to Quantities.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/RGL.py to RGL.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/Sampling.py to Sampling.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/ScipyFmin.py to ScipyFmin.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/Search.py to Search.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/SearchParallel.py to SearchParallel.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/Tools/ParameterOptimization/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/averagepositions.py to averagepositions.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/clusterposition.py to clusterposition.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/cutcluster.py to cutcluster.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/findcluster.py to findcluster.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/localstructure.py to localstructure.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/particle.py to particle.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/ptm.py to ptm.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/analysis/rdf.py to rdf.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io/ReadOldFiles.py to ReadOldFiles.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io/bundletrajectory.py to bundletrajectory.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io/cpu_setup.py to cpu_setup.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/io/trajectory.py to trajectory.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md/langevin.py to langevin.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md/md.py to md.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md/npt.py to npt.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md/nptberendsen.py to nptberendsen.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md/nvtberendsen.py to nvtberendsen.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md/velocitydistribution.py to velocitydistribution.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/md/verlet.py to verlet.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/AdsCalc.py to AdsCalc.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/Logger.py to Logger.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/atommontecarlodata.py to atommontecarlodata.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/cluster.py to cluster.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/clusteratom.py to clusteratom.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/langmuirExpression.py to langmuirExpression.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/mc_result.py to mc_result.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/resizecluster.py to resizecluster.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data/au.py to au.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data/fcc.py to fcc.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/data/symmetry.py to symmetry.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/montecarlo/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/montecarlo/atom.py to atom.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/nanoparticle_mc/montecarlo/surface.py to surface.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize/fire.py to fire.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize/mdmin.py to mdmin.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/optimize/optimize.py to optimize.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/VelocityDistribution.py to VelocityDistribution.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/dislocation.py to dislocation.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/displacementfield.py to displacementfield.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/multidislocation.py to multidislocation.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/dislocated.py to dislocated.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/energy.py to energy.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/grain_structures.py to grain_structures.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/helpers.py to helpers.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/nanocrystalline.py to nanocrystalline.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/nanocrystalline_orig.py to nanocrystalline_orig.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/plane_utils.py to plane_utils.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/setup/nanocrystalline/quat_utils.py to quat_utils.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize/__init__.py to __init__.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize/colortable.py to colortable.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize/fieldplotter.py to fieldplotter.cpython-39.pyc byte-compiling /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3/visualize/primiplotter.py to primiplotter.cpython-39.pyc writing byte-compilation script '/tmp/tmpwkuqhbkf.py' /usr/local/bin/python3.9 /tmp/tmpwkuqhbkf.py removing /tmp/tmpwkuqhbkf.py running install_egg_info running egg_info creating asap3.egg-info writing asap3.egg-info/PKG-INFO writing dependency_links to asap3.egg-info/dependency_links.txt writing top-level names to asap3.egg-info/top_level.txt writing manifest file 'asap3.egg-info/SOURCES.txt' reading manifest file 'asap3.egg-info/SOURCES.txt' reading manifest template 'MANIFEST.in' warning: no files found matching 'Test/testVerlet.pickle' warning: no files found matching 'Test/TestParallel-openmpi.sh' adding license file 'LICENSE' adding license file 'LICENSE.LESSER' writing manifest file 'asap3.egg-info/SOURCES.txt' Copying asap3.egg-info to /construction/science/py-asap3/stage/usr/local/lib/python3.9/site-packages/asap3-3.12.8-py3.9.egg-info running install_scripts copying build/scripts-3.9/asap-qsub -> /construction/science/py-asap3/stage/usr/local/bin copying build/scripts-3.9/asap-sbatch -> /construction/science/py-asap3/stage/usr/local/bin changing mode of /construction/science/py-asap3/stage/usr/local/bin/asap-qsub to 755 changing mode of /construction/science/py-asap3/stage/usr/local/bin/asap-sbatch to 755 writing list of installed files to '/construction/science/py-asap3/.PLIST.pymodtmp' ===> Creating unique files: Move MAN files needing SUFFIX ===> Creating unique files: Move files needing SUFFIX Move: bin/asap-qsub --> bin/asap-qsub-3.9 Link: @bin/asap-qsub --> bin/asap-qsub-3.9 Move: bin/asap-sbatch --> bin/asap-sbatch-3.9 Link: @bin/asap-sbatch --> bin/asap-sbatch-3.9 ====> Compressing man pages (compress-man) ====> Running Q/A tests (stage-qa) Warning: You have disabled the licenses framework with DISABLE_LICENSES, unable to run checks SUCCEEDED 00:00:06 ------------------------------------------------------------------------------- -- Phase: check-plist ------------------------------------------------------------------------------- ====> Checking for pkg-plist issues (check-plist) ===> Parsing plist ===> Checking for items in STAGEDIR missing from pkg-plist ===> Checking for items in pkg-plist which are not in STAGEDIR ===> No pkg-plist issues found (check-plist) SUCCEEDED 00:00:01 ------------------------------------------------------------------------------- -- Phase: package ------------------------------------------------------------------------------- ===> Building package for py39-asap3-3.12.8_1 file sizes/checksums [366]: 0% file sizes/checksums [366]: 27% file sizes/checksums [366]: 54% file sizes/checksums [366]: 81% file sizes/checksums [366]: 100% Service unavailablepacking files [366]: 0% packing files [366]: 27% packing files [366]: 54% packing files [366]: 81% packing files [366]: 100% packing directories [0]: 0% packing directories [0]: 100% SUCCEEDED 00:00:00 TOTAL TIME 00:03:59