=>> Building science/mrchem build started at Fri Jan 23 20:20:40 EST 2026 port directory: /usr/ports/science/mrchem package name: mrchem-1.1.4 building for: FreeBSD pkg.DaveG.ca 13.5-RELEASE-p7 FreeBSD 13.5-RELEASE-p7 1305000 amd64 maintained by: yuri@FreeBSD.org Makefile datestamp: -rw-r--r-- 1 root wheel 1585 Aug 27 2024 /usr/ports/science/mrchem/Makefile Ports top last git commit: 076a295eb33c Ports top unclean checkout: no Port dir last git commit: 755aa658080e Port dir unclean checkout: no Poudriere version: poudriere-git-3.4.2 Host OSVERSION: 1500068 Jail OSVERSION: 1305000 Job Id: 08 ---Begin Environment--- SHELL=/bin/csh OSVERSION=1305000 UNAME_v=FreeBSD 13.5-RELEASE-p7 1305000 UNAME_r=13.5-RELEASE-p7 BLOCKSIZE=K MAIL=/var/mail/root MM_CHARSET=UTF-8 LANG=C.UTF-8 STATUS=1 HOME=/root PATH=/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin:/root/bin MAKE_OBJDIR_CHECK_WRITABLE=0 LOCALBASE=/usr/local USER=root POUDRIERE_NAME=poudriere-git LIBEXECPREFIX=/usr/local/libexec/poudriere POUDRIERE_VERSION=3.4.2 MASTERMNT=/usr/local/poudriere/data/.m/freebsd_13_5_x64-HEAD-ALL/ref LC_COLLATE=C POUDRIERE_BUILD_TYPE=bulk PACKAGE_BUILDING=yes SAVED_TERM=tmux-256color OUTPUT_REDIRECTED_STDERR=4 OUTPUT_REDIRECTED=1 PWD=/usr/local/poudriere/data/.m/freebsd_13_5_x64-HEAD-ALL/08/.p OUTPUT_REDIRECTED_STDOUT=3 P_PORTS_FEATURES=FLAVORS SUBPACKAGES SELECTED_OPTIONS MASTERNAME=freebsd_13_5_x64-HEAD-ALL SCRIPTPREFIX=/usr/local/share/poudriere SCRIPTNAME=bulk.sh OLDPWD=/usr/local/poudriere/data/.m/freebsd_13_5_x64-HEAD-ALL/ref/.p/pool POUDRIERE_PKGNAME=poudriere-git-3.4.2 SCRIPTPATH=/usr/local/share/poudriere/bulk.sh POUDRIEREPATH=/usr/local/bin/poudriere ---End Environment--- ---Begin Poudriere Port Flags/Env--- PORT_FLAGS= PKGENV= FLAVOR= MAKE_ARGS= ---End Poudriere Port Flags/Env--- ---Begin OPTIONS List--- ===> The following configuration options are available for mrchem-1.1.4: ARCH_FLAGS=off: Enable architecture-specific compiler flags PYTHON=off: Python bindings or support ====> MPI (Message Passing Interface) support: you have to select exactly one of them NOMPI=off: Build without parallel processing support MPICH=on: Parallel processing support via MPICH OPENMPI=off: Parallel processing support via Open MPI ===> Use 'make config' to modify these settings ---End OPTIONS List--- --MAINTAINER-- yuri@FreeBSD.org --End MAINTAINER-- --CONFIGURE_ARGS-- --End CONFIGURE_ARGS-- --CONFIGURE_ENV-- XDG_DATA_HOME=/wrkdirs/usr/ports/science/mrchem/work XDG_CONFIG_HOME=/wrkdirs/usr/ports/science/mrchem/work XDG_CACHE_HOME=/wrkdirs/usr/ports/science/mrchem/work/.cache HOME=/wrkdirs/usr/ports/science/mrchem/work TMPDIR="/tmp" PATH=/wrkdirs/usr/ports/science/mrchem/work/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin:/root/bin PKG_CONFIG_LIBDIR=/wrkdirs/usr/ports/science/mrchem/work/.pkgconfig:/usr/local/libdata/pkgconfig:/usr/local/share/pkgconfig:/usr/libdata/pkgconfig SHELL=/bin/sh CONFIG_SHELL=/bin/sh --End CONFIGURE_ENV-- --MAKE_ENV-- NINJA_STATUS="[%p %s/%t] " XDG_DATA_HOME=/wrkdirs/usr/ports/science/mrchem/work XDG_CONFIG_HOME=/wrkdirs/usr/ports/science/mrchem/work XDG_CACHE_HOME=/wrkdirs/usr/ports/science/mrchem/work/.cache HOME=/wrkdirs/usr/ports/science/mrchem/work TMPDIR="/tmp" PATH=/wrkdirs/usr/ports/science/mrchem/work/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin:/root/bin PKG_CONFIG_LIBDIR=/wrkdirs/usr/ports/science/mrchem/work/.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 DESTDIR=/wrkdirs/usr/ports/science/mrchem/work/stage PREFIX=/usr/local LOCALBASE=/usr/local CC="cc" CFLAGS="-O2 -pipe -fstack-protector-strong -fno-strict-aliasing " CPP="cpp" CPPFLAGS="" LDFLAGS=" " LIBS="" CXX="c++" CXXFLAGS="-O2 -pipe -fstack-protector-strong -fno-strict-aliasing " 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" --End MAKE_ENV-- --PLIST_SUB-- ARCH_FLAGS="@comment " NO_ARCH_FLAGS="" MPICH="" NO_MPICH="@comment " NOMPI="@comment " NO_NOMPI="" OPENMPI="@comment " NO_OPENMPI="" PYTHON="@comment " NO_PYTHON="" CMAKE_BUILD_TYPE="release" OSREL=13.5 PREFIX=%D LOCALBASE=/usr/local RESETPREFIX=/usr/local LIB32DIR=lib DOCSDIR="share/doc/mrchem" EXAMPLESDIR="share/examples/mrchem" DATADIR="share/mrchem" WWWDIR="www/mrchem" ETCDIR="etc/mrchem" --End PLIST_SUB-- --SUB_LIST-- ARCH_FLAGS="@comment " NO_ARCH_FLAGS="" MPICH="" NO_MPICH="@comment " NOMPI="@comment " NO_NOMPI="" OPENMPI="@comment " NO_OPENMPI="" PYTHON="@comment " NO_PYTHON="" PREFIX=/usr/local LOCALBASE=/usr/local DATADIR=/usr/local/share/mrchem DOCSDIR=/usr/local/share/doc/mrchem EXAMPLESDIR=/usr/local/share/examples/mrchem WWWDIR=/usr/local/www/mrchem ETCDIR=/usr/local/etc/mrchem --End SUB_LIST-- ---Begin make.conf--- DEFAULT_VERSIONS+=pgsql=15 DEFAULT_VERSIONS+=php=82 DISABLE_LICENSES=yes SELECTED_OPTIONS+=OPENBLAS ARCHDEF=AMD64K10h64SSE3 USE_PACKAGE_DEPENDS=yes BATCH=yes WRKDIRPREFIX=/wrkdirs PORTSDIR=/usr/ports PACKAGES=/packages DISTDIR=/distfiles FORCE_PACKAGE=yes PACKAGE_BUILDING=yes PACKAGE_BUILDING_FLAVORS=yes #### #### DEFAULT_VERSIONS+=pgsql=15 DEFAULT_VERSIONS+=php=82 DISABLE_LICENSES=yes SELECTED_OPTIONS+=OPENBLAS ARCHDEF=AMD64K10h64SSE3 WITH_CCACHE_BUILD=yes CCACHE_DIR=/root/.ccache #### Misc Poudriere #### .include "/etc/make.conf.ports_env" GID=0 UID=0 ---End make.conf--- --Resource limits-- cpu time (seconds, -t) unlimited file size (512-blocks, -f) unlimited data seg size (kbytes, -d) 33554432 stack size (kbytes, -s) 524288 core file size (512-blocks, -c) unlimited max memory size (kbytes, -m) unlimited locked memory (kbytes, -l) unlimited max user processes (-u) 89999 open files (-n) 8192 virtual mem size (kbytes, -v) unlimited swap limit (kbytes, -w) unlimited socket buffer size (bytes, -b) unlimited pseudo-terminals (-p) unlimited kqueues (-k) unlimited umtx shared locks (-o) unlimited --End resource limits-- =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 ===> mrchem-1.1.4 depends on file: /usr/local/sbin/pkg - not found ===> Installing existing package /packages/All/pkg-2.5.1.pkg [pkg.DaveG.ca] Installing pkg-2.5.1... [pkg.DaveG.ca] Extracting pkg-2.5.1: .......... done ===> mrchem-1.1.4 depends on file: /usr/local/sbin/pkg - found ===> Returning to build of mrchem-1.1.4 =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Fetching all distfiles required by mrchem-1.1.4 for building =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Fetching all distfiles required by mrchem-1.1.4 for building => SHA256 Checksum OK for MRChemSoft-mrchem-v1.1.4_GH0.tar.gz. =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Fetching all distfiles required by mrchem-1.1.4 for building ===> Extracting for mrchem-1.1.4 => SHA256 Checksum OK for MRChemSoft-mrchem-v1.1.4_GH0.tar.gz. =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Patching for mrchem-1.1.4 ===> Applying FreeBSD patches for mrchem-1.1.4 from /usr/ports/science/mrchem/files =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 ===> mrchem-1.1.4 depends on package: nlohmann-json>0 - not found ===> Installing existing package /packages/All/nlohmann-json-3.12.0_1.pkg [pkg.DaveG.ca] Installing nlohmann-json-3.12.0_1... [pkg.DaveG.ca] Extracting nlohmann-json-3.12.0_1: .......... done ===> mrchem-1.1.4 depends on package: nlohmann-json>0 - found ===> Returning to build of mrchem-1.1.4 ===> mrchem-1.1.4 depends on file: /usr/local/bin/cmake - not found ===> Installing existing package /packages/All/cmake-core-3.31.10.pkg [pkg.DaveG.ca] Installing cmake-core-3.31.10... [pkg.DaveG.ca] `-- Installing expat-2.7.3... [pkg.DaveG.ca] `-- Extracting expat-2.7.3: .......... done [pkg.DaveG.ca] `-- Installing jsoncpp-1.9.6_1... [pkg.DaveG.ca] `-- Extracting jsoncpp-1.9.6_1: .......... done [pkg.DaveG.ca] `-- Installing libidn2-2.3.8... [pkg.DaveG.ca] | `-- Installing indexinfo-0.3.1_1... [pkg.DaveG.ca] | `-- Extracting indexinfo-0.3.1_1: . done [pkg.DaveG.ca] | `-- Installing libunistring-1.4.1... [pkg.DaveG.ca] | `-- Extracting libunistring-1.4.1: .......... done [pkg.DaveG.ca] `-- Extracting libidn2-2.3.8: .......... done [pkg.DaveG.ca] `-- Installing libuv-1.51.0... [pkg.DaveG.ca] `-- Extracting libuv-1.51.0: .......... done [pkg.DaveG.ca] `-- Installing rhash-1.4.6... [pkg.DaveG.ca] | `-- Installing gettext-runtime-0.26... [pkg.DaveG.ca] | `-- Extracting gettext-runtime-0.26: .......... done [pkg.DaveG.ca] `-- Extracting rhash-1.4.6: .......... done [pkg.DaveG.ca] Extracting cmake-core-3.31.10: .......... done ===> mrchem-1.1.4 depends on file: /usr/local/bin/cmake - found ===> Returning to build of mrchem-1.1.4 ===> mrchem-1.1.4 depends on executable: ninja - not found ===> Installing existing package /packages/All/ninja-1.13.2,4.pkg [pkg.DaveG.ca] Installing ninja-1.13.2,4... [pkg.DaveG.ca] `-- Installing python311-3.11.14... [pkg.DaveG.ca] | `-- Installing libffi-3.5.1... [pkg.DaveG.ca] | `-- Extracting libffi-3.5.1: .......... done [pkg.DaveG.ca] | `-- Installing mpdecimal-4.0.1... [pkg.DaveG.ca] | `-- Extracting mpdecimal-4.0.1: .......... done [pkg.DaveG.ca] | `-- Installing readline-8.3.3... [pkg.DaveG.ca] | `-- Extracting readline-8.3.3: .......... done [pkg.DaveG.ca] `-- Extracting python311-3.11.14: .......... done [pkg.DaveG.ca] Extracting ninja-1.13.2,4: ..... done ===== Message from python311-3.11.14: -- Note that some standard Python modules are provided as separate ports as they require additional dependencies. They are available as: py311-gdbm databases/py-gdbm@py311 py311-sqlite3 databases/py-sqlite3@py311 py311-tkinter x11-toolkits/py-tkinter@py311 ===> mrchem-1.1.4 depends on executable: ninja - found ===> Returning to build of mrchem-1.1.4 ===> mrchem-1.1.4 depends on file: /usr/local/libdata/pkgconfig/eigen3.pc - not found ===> Installing existing package /packages/All/eigen-3.4.0_4.pkg [pkg.DaveG.ca] Installing eigen-3.4.0_4... [pkg.DaveG.ca] `-- Installing blas-3.12.1... [pkg.DaveG.ca] | `-- Installing gcc14-14.2.0_4... [pkg.DaveG.ca] | | `-- Installing binutils-2.44,1... [pkg.DaveG.ca] | | `-- Installing zstd-1.5.7_1... [pkg.DaveG.ca] | | `-- Extracting zstd-1.5.7_1: .......... done [pkg.DaveG.ca] | | `-- Extracting binutils-2.44,1: .......... done [pkg.DaveG.ca] | | `-- Installing gmp-6.3.0... [pkg.DaveG.ca] | | `-- Extracting gmp-6.3.0: .......... done [pkg.DaveG.ca] | | `-- Installing mpc-1.3.1_1... [pkg.DaveG.ca] | | `-- Installing mpfr-4.2.2,1... [pkg.DaveG.ca] | | `-- Extracting mpfr-4.2.2,1: .......... done [pkg.DaveG.ca] | | `-- Extracting mpc-1.3.1_1: ...... done [pkg.DaveG.ca] | `-- Extracting gcc14-14.2.0_4: .......... done [pkg.DaveG.ca] `-- Extracting blas-3.12.1: ..... done [pkg.DaveG.ca] `-- Installing lapack-3.12.1... [pkg.DaveG.ca] `-- Extracting lapack-3.12.1: .......... done [pkg.DaveG.ca] Extracting eigen-3.4.0_4: .......... done ===== Message from gcc14-14.2.0_4: -- 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/gcc14 For ports leveraging USE_GCC, USES=compiler, or USES=fortran this happens transparently. ===> mrchem-1.1.4 depends on file: /usr/local/libdata/pkgconfig/eigen3.pc - found ===> Returning to build of mrchem-1.1.4 ===> mrchem-1.1.4 depends on file: /usr/local/bin/ccache - not found ===> Installing existing package /packages/All/ccache-3.7.12_8.pkg [pkg.DaveG.ca] Installing ccache-3.7.12_8... [pkg.DaveG.ca] Extracting ccache-3.7.12_8: ......... done 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 gcc14 create symlink for gcc14 (world) create symlink for g++14 create symlink for g++14 (world) create symlink for cpp14 create symlink for cpp14 (world) create symlink for clang create symlink for clang (world) create symlink for clang++ create symlink for clang++ (world) ===== Message from ccache-3.7.12_8: -- NOTE: Please read /usr/local/share/doc/ccache/ccache-howto-freebsd.txt for information on using ccache with FreeBSD ports and src. ===> mrchem-1.1.4 depends on file: /usr/local/bin/ccache - found ===> Returning to build of mrchem-1.1.4 =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 ===> mrchem-1.1.4 depends on shared library: libmrcpp.so - not found ===> Installing existing package /packages/All/mrcpp-1.5.0_1.pkg [pkg.DaveG.ca] Installing mrcpp-1.5.0_1... [pkg.DaveG.ca] `-- Installing mpich-4.3.2... [pkg.DaveG.ca] | `-- Installing hwloc2-2.12.1_1... [pkg.DaveG.ca] | | `-- Installing level-zero-1.26.3... [pkg.DaveG.ca] | | `-- Installing libfmt-12.1.0... [pkg.DaveG.ca] | | `-- Extracting libfmt-12.1.0: .......... done [pkg.DaveG.ca] | | `-- Installing spdlog-1.16.0_1... [pkg.DaveG.ca] | | `-- Extracting spdlog-1.16.0_1: .......... done [pkg.DaveG.ca] | | `-- Extracting level-zero-1.26.3: .......... done [pkg.DaveG.ca] | | `-- Installing libpciaccess-0.18.1_1... [pkg.DaveG.ca] | | `-- Installing hwdata-0.403,1... [pkg.DaveG.ca] | | `-- Extracting hwdata-0.403,1: ...... done [pkg.DaveG.ca] | | `-- Extracting libpciaccess-0.18.1_1: ..... done [pkg.DaveG.ca] | | `-- Installing libxml2-2.14.6... [pkg.DaveG.ca] | | `-- Extracting libxml2-2.14.6: .......... done [pkg.DaveG.ca] | `-- Extracting hwloc2-2.12.1_1: .......... done [pkg.DaveG.ca] | `-- Installing json-c-0.18... [pkg.DaveG.ca] | `-- Extracting json-c-0.18: .......... done [pkg.DaveG.ca] | `-- Installing libepoll-shim-0.0.20240608... [pkg.DaveG.ca] | `-- Extracting libepoll-shim-0.0.20240608: .......... done [pkg.DaveG.ca] | `-- Installing libfabric-1.15.1_4... [pkg.DaveG.ca] | `-- Extracting libfabric-1.15.1_4: .......... done [pkg.DaveG.ca] | `-- Installing perl5-5.42.0_1... [pkg.DaveG.ca] | `-- Extracting perl5-5.42.0_1: .......... done [pkg.DaveG.ca] `-- Extracting mpich-4.3.2: .......... done [pkg.DaveG.ca] Extracting mrcpp-1.5.0_1: .......... done ===> mrchem-1.1.4 depends on shared library: libmrcpp.so - found (/usr/local/lib/libmrcpp.so) ===> Returning to build of mrchem-1.1.4 ===> mrchem-1.1.4 depends on shared library: libxcfun.so - not found ===> Installing existing package /packages/All/xcfun-2.1.1.1.pkg [pkg.DaveG.ca] Installing xcfun-2.1.1.1... [pkg.DaveG.ca] Extracting xcfun-2.1.1.1: .......... done ===> mrchem-1.1.4 depends on shared library: libxcfun.so - found (/usr/local/lib/libxcfun.so) ===> Returning to build of mrchem-1.1.4 ===> mrchem-1.1.4 depends on shared library: libmpich.so - found (/usr/local/lib/libmpich.so) =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Configuring for mrchem-1.1.4 ===> Performing out-of-source build /bin/mkdir -p /wrkdirs/usr/ports/science/mrchem/work/.build -- The CXX compiler identification is Clang 19.1.7 -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/local/libexec/ccache/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found MPI_CXX: /usr/local/lib/libmpicxx.so (found version "4.1") -- Found MPI: TRUE (found version "4.1") found components: CXX -- Found nlohmann_json: /usr/local/include;/usr/local/include (found version 3.12.0) -- Found XCFun: /usr/local/lib/libxcfun.so.2 (found version 2.1.1) -- Using Eigen3: /usr/local (version 3.4.0) -- MRCPP built with MPI support (found version "4.1") -- Found MRCPP: /usr/local/lib/libmrcpp.so.1 (found version 1.5.0-alpha) -- Found packages: * Eigen3 (required version >= 3.3) * MPI -- Configuring done (2.5s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: CMAKE_COLOR_MAKEFILE CMAKE_C_COMPILER CMAKE_C_FLAGS CMAKE_C_FLAGS_DEBUG CMAKE_C_FLAGS_RELEASE CMAKE_MODULE_LINKER_FLAGS CMAKE_SHARED_LINKER_FLAGS CMAKE_VERBOSE_MAKEFILE FETCHCONTENT_FULLY_DISCONNECTED THREADS_HAVE_PTHREAD_ARG -- Build files have been written to: /wrkdirs/usr/ports/science/mrchem/work/.build =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Building for mrchem-1.1.4 [ 0% 1/101] cd /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/cmake/custom && /usr/local/bin/cmake -DINPUT_DIR=/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4 -DTARGET_DIR=/wrkdirs/usr/ports/science/mrchem/work/.build -DCMAKE_SYSTEM=FreeBSD-13.5-RELEASE-p7 -DCMAKE_SYSTEM_PROCESSOR=amd64 -DCMAKE_GENERATOR=Ninja -DCMAKE_BUILD_TYPE=Release -DCMAKE_CXX_COMPILER=/usr/local/libexec/ccache/c++ -DCMAKE_CXX_COMPILER_VERSION=19.1.7 -DMRCHEM_VERSION=1.1.4 -DMW_FILTER_SOURCE_DIR= -DMW_FILTER_INSTALL_DIR= -P /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/cmake/custom/binary-info.cmake -- MRChem version: 1.1.4 -- Git branch: unknown -- Git last commit hash: unknown -- Git last commit author: unknown -- Git last commit date: unknown [ 1% 2/101] cd /wrkdirs/usr/ports/science/mrchem/work/.build && /usr/local/bin/cmake -E touch_nocreate /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/version.h.in [ 2% 66/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o -MF src/CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o.d -o src/CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/chemistry/PeriodicTable.cpp [ 3% 67/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem 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-DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o -MF src/CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o.d -o src/CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/mrdft/Factory.cpp [ 32% 96/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o -MF src/CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o.d -o src/CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/mrdft/MRDFT.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/mrdft/MRDFT.cpp:81:9: warning: unused variable 'nFcs' [-Wunused-variable] 81 | int nFcs = functional().getXCOutputLength(); | ^~~~ 1 warning generated. [ 33% 97/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/one_electron/ZoraOperator.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/one_electron/ZoraOperator.cpp:65:10: warning: unused variable 'plevel' [-Wunused-variable] 65 | auto plevel = Printer::getPrintLevel(); | ^~~~~~ 1 warning generated. [ 34% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/chemistry/PhysicalConstants.cpp.o -MF src/CMakeFiles/mrchem.dir/chemistry/PhysicalConstants.cpp.o.d -o src/CMakeFiles/mrchem.dir/chemistry/PhysicalConstants.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/chemistry/PhysicalConstants.cpp [ 35% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.cpp:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.h:59:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 59 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.cpp:321:26: warning: unused variable 'tT' [-Wunused-variable] 321 | auto tT = timerx.elapsed(); | ^~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.cpp:302:17: warning: unused variable 'lastsize' [-Wunused-variable] 302 | int lastsize = iVec.size(); | ^~~~~~~~ 3 warnings generated. [ 36% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o -MF src/CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o.d -o src/CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/scf_solver/HelmholtzVector.cpp [ 37% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o -MF src/CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o.d -o src/CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/tensor/tensor_utils.cpp [ 38% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/CoulombPotential.cpp [ 39% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/environment/SCRF.cpp.o -MF src/CMakeFiles/mrchem.dir/environment/SCRF.cpp.o.d -o src/CMakeFiles/mrchem.dir/environment/SCRF.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/environment/SCRF.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/environment/SCRF.cpp:36: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:70:10: warning: 'clear' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 70 | void clear(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:88:18: note: overridden virtual function is here 88 | virtual void clear() { clearApplyPrec(); } | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/environment/SCRF.cpp:36: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:76:10: warning: 'setup' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 76 | void setup(double prec); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:87:18: note: overridden virtual function is here 87 | virtual void setup(double prec) { setApplyPrec(prec); } | ^ 2 warnings generated. 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-I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMDerivative.cpp [ 42% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/CoulombPotentialD2.cpp [ 43% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/XCPotentialD2.cpp [ 44% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMPotential.cpp [ 45% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o -MF src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o.d -o src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/scf_solver/SCFSolver.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/scf_solver/SCFSolver.cpp:195:10: warning: variable 'conv_tot' set but not used [-Wunused-but-set-variable] 195 | bool conv_tot = true; | ^ 1 warning generated. [ 46% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/CoulombPotentialD1.cpp [ 47% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o -MF src/CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o.d -o src/CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/gto_utils/Intgrl.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/gto_utils/Intgrl.cpp:77:23: warning: variable length arrays in C++ are a Clang extension [-Wvla-cxx-extension] 77 | int funcsPerShell[nShell]; | ^~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/gto_utils/Intgrl.cpp:77:23: note: read of non-const variable 'nShell' is not allowed in a constant expression /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/gto_utils/Intgrl.cpp:71:9: note: declared here 71 | int nShell; | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/gto_utils/Intgrl.cpp:114:9: warning: variable 'nbas' set but not used [-Wunused-but-set-variable] 114 | int nbas = 0; | ^ 2 warnings generated. [ 48% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD2.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD2.cpp:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD2.h:69:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 69 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ 1 warning generated. [ 49% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/XCPotential.cpp [ 50% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o -MF src/CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o.d -o src/CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/scf_solver/KAIN.cpp [ 51% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o -MF src/CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o.d -o src/CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:159:28: warning: unused variable 'rr' [-Wunused-variable] 159 | double rr = r.transpose() * r; | ^~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:147:29: warning: unused variable 'Hij' [-Wunused-variable] 147 | double pAp, Hij; | ^~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:83:13: warning: variable 'lastICG' set but not used [-Wunused-but-set-variable] 83 | int lastICG = 0; | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:50:12: warning: unused variable 'j' [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:50:15: warning: unused variable 'k' [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:50:18: warning: unused variable 'l' [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:51:16: warning: unused variable 'h2' [-Wunused-variable] 51 | double mu, h2; | ^~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:68:12: warning: variable 'mu_Newton' set but not used [-Wunused-but-set-variable] 68 | double mu_Newton = mu_Newton_init; | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:69:12: warning: unused variable 'lamb1' [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:69:19: warning: unused variable 'sq' [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:69:23: warning: unused variable 'a' [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/NonlinearMaximizer.cpp:69:26: warning: unused variable 'c' [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^ 12 warnings generated. [ 52% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o -MF src/CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o.d -o src/CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/tensor/RankZeroOperator.cpp [ 53% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/utils/Bank.cpp.o -MF src/CMakeFiles/mrchem.dir/utils/Bank.cpp.o.d -o src/CMakeFiles/mrchem.dir/utils/Bank.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:281:21: warning: unused variable 'dataindex' [-Wunused-variable] 281 | int dataindex = 0; // internal index of the data in the block | ^~~~~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:59:10: warning: unused variable 'safe_data1' [-Wunused-variable] 59 | char safe_data1; | ^~~~~~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:60:9: warning: unused variable 'deposit_size' [-Wunused-variable] 60 | int deposit_size = sizeof(deposit); | ^~~~~~~~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:61:9: warning: unused variable 'n_chunks' [-Wunused-variable] 61 | int n_chunks, ix; | ^~~~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:67:9: warning: unused variable 'id_shift' [-Wunused-variable] 67 | int id_shift = max_tag / 2; // to ensure that nodes, orbitals and functions do not collide | ^~~~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:658:16: warning: unused variable 'status' [-Wunused-variable] 658 | MPI_Status status; | ^~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:669:16: warning: unused variable 'status' [-Wunused-variable] 669 | MPI_Status status; | ^~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:795:16: warning: unused variable 'status' [-Wunused-variable] 795 | MPI_Status status; | ^~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:993:16: warning: unused variable 'status' [-Wunused-variable] 993 | MPI_Status status; | ^~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/Bank.cpp:1006:16: warning: unused variable 'status' [-Wunused-variable] 1006 | MPI_Status status; | ^~~~~~ 10 warnings generated. [ 54% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.cpp:29: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:70:10: warning: 'clear' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 70 | void clear(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:88:18: note: overridden virtual function is here 88 | virtual void clear() { clearApplyPrec(); } | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.cpp:29: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:76:10: warning: 'setup' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 76 | void setup(double prec); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:87:18: note: overridden virtual function is here 87 | virtual void setup(double prec) { setApplyPrec(prec); } | ^ 2 warnings generated. [ 55% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o -MF src/CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o.d -o src/CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/gto_utils/OrbitalExp.cpp [ 56% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/one_electron/NuclearOperator.cpp [ 57% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmfunctions/orbital.cpp [ 58% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o -MF src/CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o.d -o src/CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/initial_guess/chk.cpp [ 59% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o -MF src/CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o.d -o src/CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/initial_guess/gto.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/initial_guess/gto.cpp:221:13: warning: unused variable 'n' [-Wunused-variable] 221 | int n = 0; | ^ 1 warning generated. [ 60% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/mrenv.cpp.o -MF src/CMakeFiles/mrchem.dir/mrenv.cpp.o.d -o src/CMakeFiles/mrchem.dir/mrenv.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/mrenv.cpp [ 61% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/coulomb_operator.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/coulomb_operator.cpp:77:9: warning: unused variable 'i' [-Wunused-variable] 77 | int i = 0; | ^ 1 warning generated. [ 62% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o -MF src/CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/FockBuilder.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/FockBuilder.cpp:32: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangeOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.h:59:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 59 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/FockBuilder.cpp:32: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangeOperator.h:31: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD2.h:69:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 69 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/FockBuilder.cpp:33: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:70:10: warning: 'clear' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 70 | void clear(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:88:18: note: overridden virtual function is here 88 | virtual void clear() { clearApplyPrec(); } | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/FockBuilder.cpp:33: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:76:10: warning: 'setup' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 76 | void setup(double prec); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:87:18: note: overridden virtual function is here 87 | virtual void setup(double prec) { setApplyPrec(prec); } | ^ 4 warnings generated. [ 63% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/utils/print_utils.cpp.o -MF src/CMakeFiles/mrchem.dir/utils/print_utils.cpp.o.d -o src/CMakeFiles/mrchem.dir/utils/print_utils.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/print_utils.cpp [ 64% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmfunctions/density.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmfunctions/density.cpp:42:18: warning: unused variable 'thrs' [-Wunused-variable] 42 | const double thrs = 1.0e-12; | ^~~~ 1 warning generated. [ 65% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o -MF src/CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o.d -o src/CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/initial_guess/mw.cpp [ 66% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/exchange_hessian.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/exchange_hessian.cpp:37: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangeOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.h:59:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 59 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/exchange_hessian.cpp:37: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangeOperator.h:31: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD2.h:69:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 69 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/exchange_hessian.cpp:107:9: warning: unused variable 'i' [-Wunused-variable] 107 | int i = 0; | ^ 3 warnings generated. [ 67% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/coulomb_hessian.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/coulomb_hessian.cpp:97:9: warning: unused variable 'i' [-Wunused-variable] 97 | int i = 0; | ^ 1 warning generated. 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/usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/kinetic_operator.cpp [ 72% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall 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file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/exchange_operator.cpp:37: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangeOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.h:59:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 59 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/exchange_operator.cpp:37: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangeOperator.h:31: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD2.h:69:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 69 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/exchange_operator.cpp:48:15: warning: unused variable 'nShells' [-Wunused-variable] 48 | const int nShells = 2; | ^~~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/exchange_operator.cpp:74:9: warning: unused variable 'i' [-Wunused-variable] 74 | int i = 0; | ^ 4 warnings generated. [ 79% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o -MF src/CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o.d -o src/CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/initial_guess/sad.cpp [ 80% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/xc_hessian_lda.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/xc_hessian_lda.cpp:107:9: warning: unused variable 'i' [-Wunused-variable] 107 | int i = 0; | ^ 1 warning generated. [ 81% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/solventeffect/cavity_function.cpp [ 82% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/xc_hessian_pbe.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/xc_hessian_pbe.cpp:106:9: warning: unused variable 'i' [-Wunused-variable] 106 | int i = 0; | ^ 1 warning generated. [ 83% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o -MF src/CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o.d -o src/CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/scf_solver/Accelerator.cpp [ 84% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/solventeffect/reaction_operator.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/solventeffect/reaction_operator.cpp:48: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:70:10: warning: 'clear' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 70 | void clear(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:88:18: note: overridden virtual function is here 88 | virtual void clear() { clearApplyPrec(); } | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/solventeffect/reaction_operator.cpp:48: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:76:10: warning: 'setup' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 76 | void setup(double prec); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:87:18: note: overridden virtual function is here 87 | virtual void setup(double prec) { setApplyPrec(prec); } | ^ 2 warnings generated. [ 85% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o -MF src/CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o.d -o src/CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/scf_solver/GroundStateSolver.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/scf_solver/GroundStateSolver.cpp:39: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:70:10: warning: 'clear' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 70 | void clear(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:88:18: note: overridden virtual function is here 88 | virtual void clear() { clearApplyPrec(); } | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/scf_solver/GroundStateSolver.cpp:39: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:76:10: warning: 'setup' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 76 | void setup(double prec); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:87:18: note: overridden virtual function is here 87 | virtual void setup(double prec) { setApplyPrec(prec); } | ^ 2 warnings generated. 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-I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/external/catch -isystem /usr/local/include -isystem /usr/local/include/MRCPP -isystem /usr/local/include/eigen3 -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o -MF tests/CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o.d -o tests/CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/tests/qmoperators/momentum_operator.cpp [ 88% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o -MF src/CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o.d -o src/CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/initial_guess/cube.cpp [ 89% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 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-I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/utils/math_utils.cpp.o -MF src/CMakeFiles/mrchem.dir/utils/math_utils.cpp.o.d -o src/CMakeFiles/mrchem.dir/utils/math_utils.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/utils/math_utils.cpp [ 94% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o -MF src/CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o.d -o src/CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/chemistry/Molecule.cpp [ 95% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o -MF src/CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o.d -o src/CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmfunctions/orbital_utils.cpp /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmfunctions/orbital_utils.cpp:300:20: warning: unused variable 'sign' [-Wunused-variable] 300 | double sign = 1.0; | ^~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmfunctions/orbital_utils.cpp:612:9: warning: unused variable 'max_nNodes' [-Wunused-variable] 612 | int max_nNodes = refTree.getNNodes(); | ^~~~~~~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmfunctions/orbital_utils.cpp:928:9: warning: unused variable 'ibank' [-Wunused-variable] 928 | int ibank = 0; | ^~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmfunctions/orbital_utils.cpp:1113:9: warning: unused variable 'ibank' [-Wunused-variable] 1113 | int ibank = 0; | ^~~~~ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmfunctions/orbital_utils.cpp:1278:9: warning: unused variable 'ibank' [-Wunused-variable] 1278 | int ibank = 0; | ^~~~~ 5 warnings generated. [ 96% 98/101] /usr/local/libexec/ccache/c++ -DMRCHEM_HAS_MPI -DMRCPP_HAS_MPI -DUSING_MRCPP -DUSING_XCFun -I/wrkdirs/usr/ports/science/mrchem/work/.build -I/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src -isystem /usr/local/include/eigen3 -isystem /usr/local/include -isystem /usr/local/include/MRCPP -O2 -pipe -fstack-protector-strong -fno-strict-aliasing -Wall -Wno-padded -Wno-c++98-compat -Wno-c++11-compat -Wno-unknown-pragmas -Woverloaded-virtual -Wwrite-strings -fcolor-diagnostics -O3 -DNDEBUG -std=c++14 -fPIC -MD -MT src/CMakeFiles/mrchem.dir/driver.cpp.o -MF src/CMakeFiles/mrchem.dir/driver.cpp.o.d -o src/CMakeFiles/mrchem.dir/driver.cpp.o -c /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/driver.cpp In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/driver.cpp:69: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangeOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD1.h:59:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 59 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/driver.cpp:69: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangeOperator.h:31: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotentialD2.h:69:10: warning: 'clearBank' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 69 | void clearBank(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ExchangePotential.h:76:18: note: overridden virtual function is here 76 | virtual void clearBank() {} | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/driver.cpp:71: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:70:10: warning: 'clear' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 70 | void clear(); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:88:18: note: overridden virtual function is here 88 | virtual void clear() { clearApplyPrec(); } | ^ In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/driver.cpp:71: In file included from /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionOperator.h:30: /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/two_electron/ReactionPotential.h:76:10: warning: 'setup' overrides a member function but is not marked 'override' [-Winconsistent-missing-override] 76 | void setup(double prec); | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/qmoperators/QMOperator.h:87:18: note: overridden virtual function is here 87 | virtual void setup(double prec) { setApplyPrec(prec); } | ^ /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/src/driver.cpp:466:11: warning: unused variable 'F_mat' [-Wunused-variable] 466 | auto &F_mat = mol.getFockMatrix(); | ^~~~~ 5 warnings generated. 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=========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Staging for mrchem-1.1.4 ===> Generating temporary packing list [ 12% 1/8] cd /wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4/cmake/custom && /usr/local/bin/cmake -DINPUT_DIR=/wrkdirs/usr/ports/science/mrchem/work/mrchem-1.1.4 -DTARGET_DIR=/wrkdirs/usr/ports/science/mrchem/work/.build -DCMAKE_SYSTEM=FreeBSD-13.5-RELEASE-p7 -DCMAKE_SYSTEM_PROCESSOR=amd64 -DCMAKE_GENERATOR=Ninja -DCMAKE_BUILD_TYPE=Release -DCMAKE_CXX_COMPILER=/usr/local/libexec/ccache/c++ -DCMAKE_CXX_COMPILER_VERSION=19.1.7 -DMRCHEM_VERSION=1.1.4 -DMW_FILTER_SOURCE_DIR= -DMW_FILTER_INSTALL_DIR= -P 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