Loading .gitlab-ci.yml +4 −2 Original line number Original line Diff line number Diff line Loading @@ -60,9 +60,11 @@ compatibility_stage: - echo "Running make with flang version 16 and clang version 16..." - echo "Running make with flang version 16 and clang version 16..." - make clean && BUILDDIR=$PWD/../build_clang16-flang16 CXX="clang++-16 -stdlib=libstdc++ -I/usr/include/c++/12 -I/usr/include/x86_64-linux-gnu/c++/12" FC=flang-new-16 FCFLAGS=-O3 LDFLAGS="-L/usr/lib/llvm-16/lib -L/usr/lib/gcc/x86_64-linux-gnu/12" make -j - make clean && BUILDDIR=$PWD/../build_clang16-flang16 CXX="clang++-16 -stdlib=libstdc++ -I/usr/include/c++/12 -I/usr/include/x86_64-linux-gnu/c++/12" FC=flang-new-16 FCFLAGS=-O3 LDFLAGS="-L/usr/lib/llvm-16/lib -L/usr/lib/gcc/x86_64-linux-gnu/12" make -j - echo "Running make with Intel ifort and Intel icpx..." - echo "Running make with Intel ifort and Intel icpx..." - make clean && PATH=/opt/intel/oneapi/compiler/latest/bin:$PATH BUILDDIR=$PWD/../build_ifort-icpx CXX=icpx FC=ifort FCFLAGS="-O3 -diag-disable=10448" make -j - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.1/lib PATH=/opt/intel/oneapi/compiler/2024.1/bin:$PATH BUILDDIR=$PWD/../build_ifort-icpx CXX=icpx FC=ifort FCFLAGS="-O3 -diag-disable=10448" make -j - echo "Running make with Intel ifx and Intel icpx..." - echo "Running make with Intel ifx and Intel icpx..." - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/latest/lib PATH=/opt/intel/oneapi/compiler/latest/bin:$PATH BUILDDIR=$PWD/../build_ifx-icpx CXX=icpx FC=ifx FCFLAGS=-O3 make -j - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.1/lib PATH=/opt/intel/oneapi/compiler/2024.1/bin:$PATH BUILDDIR=$PWD/../build_ifx-icpx CXX=icpx FC=ifx FCFLAGS=-O3 make -j - echo "Running make with default MPI compilers" - make clean && BUILDDIR=$PWD/../build_mpi CXX=mpicxx FC=mpif90 USE_MPI=1 make -j building_stage: building_stage: stage: build stage: build Loading build/README.md +0 −1 Original line number Original line Diff line number Diff line Loading @@ -111,4 +111,3 @@ where the arguments must be valid paths to binary transition matrix files saved WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and See the License for the specific language governing permissions and limitations under the License. limitations under the License. containers/docker/Dockerfile +3 −1 Original line number Original line Diff line number Diff line Loading @@ -20,6 +20,8 @@ RUN apt update RUN DEBIAN_FRONTEND=noninteractive apt -y install intel-oneapi-compiler-fortran intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-compiler-dpcpp-cpp RUN DEBIAN_FRONTEND=noninteractive apt -y install intel-oneapi-compiler-fortran intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-compiler-dpcpp-cpp # install lapacke and its dependencies, both standard and the version with 64 bit integers # install lapacke and its dependencies, both standard and the version with 64 bit integers RUN DEBIAN_FRONTEND=noninteractive apt -y install liblapacke-dev liblapacke64-dev libopenblas-dev libopenblas-openmp-dev libopenblas64-dev libopenblas64-openmp-dev RUN DEBIAN_FRONTEND=noninteractive apt -y install liblapacke-dev liblapacke64-dev libopenblas-dev libopenblas-openmp-dev libopenblas64-dev libopenblas64-openmp-dev # install MPI stack RUN DEBIAN_FRONTEND=noninteractive apt -y install mpi-default-dev mpi-default-bin # install packages needed to run python scripts for checks # install packages needed to run python scripts for checks RUN DEBIAN_FRONTEND=noninteractive apt -y install python3 python-is-python3 python3-regex RUN DEBIAN_FRONTEND=noninteractive apt -y install python3 python-is-python3 python3-regex # install packages needed to run doxygen to create html docs # install packages needed to run doxygen to create html docs Loading Loading @@ -53,7 +55,7 @@ FROM debian:bookworm-slim AS np-tmcode-run-minimal WORKDIR /root WORKDIR /root # install the strictly needed runtime libraries needed to run the executables # install the strictly needed runtime libraries needed to run the executables # and the python check scripts # and the python check scripts RUN DEBIAN_FRONTEND=noninteractive apt update && DEBIAN_FRONTEND=noninteractive apt upgrade && DEBIAN_FRONTEND=noninteractive apt -y install libgfortran5 libgcc-s1 libhdf5-103-1 libstdc++6 libssl3 libcurl4 libsz2 zlib1g libnghttp2-14 libidn2-0 librtmp1 libssh2-1 libpsl5 libgssapi-krb5-2 libldap-2.5-0 libzstd1 libbrotli1 libaec0 libunistring2 libgmp10 libkrb5-3 libk5crypto3 libcom-err2 libkrb5support0 libsasl2-2 libp11-kit0 libtasn1-6 libkeyutils1 libffi8 liblapacke64 libopenblas64-0-openmp python3 python-is-python3 python3-regex hdf5-tools && rm -rf /var/lib/apt/lists/* RUN DEBIAN_FRONTEND=noninteractive apt update && DEBIAN_FRONTEND=noninteractive apt upgrade && DEBIAN_FRONTEND=noninteractive apt -y install libgfortran5 libgcc-s1 libhdf5-103-1 libstdc++6 libssl3 libcurl4 libsz2 zlib1g libnghttp2-14 libidn2-0 librtmp1 libssh2-1 libpsl5 libgssapi-krb5-2 libldap-2.5-0 libzstd1 libbrotli1 libaec0 libunistring2 libgmp10 libkrb5-3 libk5crypto3 libcom-err2 libkrb5support0 libsasl2-2 libp11-kit0 libtasn1-6 libkeyutils1 libffi8 liblapacke64 libopenblas64-0-openmp python3 python-is-python3 python3-regex hdf5-tools mpi-default-bin && rm -rf /var/lib/apt/lists/* COPY --from=np-tmcode-run-dev /root /root COPY --from=np-tmcode-run-dev /root /root # remove everything which is not needed to run the codes # remove everything which is not needed to run the codes RUN cd /root/np-tmcode && find build -name "*.o" -exec rm -v \{\} \; && find build -name "*.gcno" -exec rm -v \{\} \; && cd src && rm -rvf cluster libnptm trapping include sphere Makefile make.inc README.md && cd .. && rm -rvf containers && cd doc && rm -rvf src && cd build/latex && rm -rvf *.tex *.out *.sty *.ind *.log *.toc *.ilg *.idx *.aux *.eps Makefile class*.pdf RUN cd /root/np-tmcode && find build -name "*.o" -exec rm -v \{\} \; && find build -name "*.gcno" -exec rm -v \{\} \; && cd src && rm -rvf cluster libnptm trapping include sphere Makefile make.inc README.md && cd .. && rm -rvf containers && cd doc && rm -rvf src && cd build/latex && rm -rvf *.tex *.out *.sty *.ind *.log *.toc *.ilg *.idx *.aux *.eps Makefile class*.pdf Loading containers/docker/README.md +0 −1 Original line number Original line Diff line number Diff line Loading @@ -26,4 +26,3 @@ where `<image name>` is either `np-tmcode` or `np-tmcode-run`. One may also add WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and See the License for the specific language governing permissions and limitations under the License. limitations under the License. containers/singularity/README.md +0 −1 Original line number Original line Diff line number Diff line Loading @@ -33,4 +33,3 @@ where `<full path to image name>` is the name of the sif image, including full o WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and See the License for the specific language governing permissions and limitations under the License. limitations under the License. Loading
.gitlab-ci.yml +4 −2 Original line number Original line Diff line number Diff line Loading @@ -60,9 +60,11 @@ compatibility_stage: - echo "Running make with flang version 16 and clang version 16..." - echo "Running make with flang version 16 and clang version 16..." - make clean && BUILDDIR=$PWD/../build_clang16-flang16 CXX="clang++-16 -stdlib=libstdc++ -I/usr/include/c++/12 -I/usr/include/x86_64-linux-gnu/c++/12" FC=flang-new-16 FCFLAGS=-O3 LDFLAGS="-L/usr/lib/llvm-16/lib -L/usr/lib/gcc/x86_64-linux-gnu/12" make -j - make clean && BUILDDIR=$PWD/../build_clang16-flang16 CXX="clang++-16 -stdlib=libstdc++ -I/usr/include/c++/12 -I/usr/include/x86_64-linux-gnu/c++/12" FC=flang-new-16 FCFLAGS=-O3 LDFLAGS="-L/usr/lib/llvm-16/lib -L/usr/lib/gcc/x86_64-linux-gnu/12" make -j - echo "Running make with Intel ifort and Intel icpx..." - echo "Running make with Intel ifort and Intel icpx..." - make clean && PATH=/opt/intel/oneapi/compiler/latest/bin:$PATH BUILDDIR=$PWD/../build_ifort-icpx CXX=icpx FC=ifort FCFLAGS="-O3 -diag-disable=10448" make -j - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.1/lib PATH=/opt/intel/oneapi/compiler/2024.1/bin:$PATH BUILDDIR=$PWD/../build_ifort-icpx CXX=icpx FC=ifort FCFLAGS="-O3 -diag-disable=10448" make -j - echo "Running make with Intel ifx and Intel icpx..." - echo "Running make with Intel ifx and Intel icpx..." - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/latest/lib PATH=/opt/intel/oneapi/compiler/latest/bin:$PATH BUILDDIR=$PWD/../build_ifx-icpx CXX=icpx FC=ifx FCFLAGS=-O3 make -j - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.1/lib PATH=/opt/intel/oneapi/compiler/2024.1/bin:$PATH BUILDDIR=$PWD/../build_ifx-icpx CXX=icpx FC=ifx FCFLAGS=-O3 make -j - echo "Running make with default MPI compilers" - make clean && BUILDDIR=$PWD/../build_mpi CXX=mpicxx FC=mpif90 USE_MPI=1 make -j building_stage: building_stage: stage: build stage: build Loading
build/README.md +0 −1 Original line number Original line Diff line number Diff line Loading @@ -111,4 +111,3 @@ where the arguments must be valid paths to binary transition matrix files saved WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and See the License for the specific language governing permissions and limitations under the License. limitations under the License.
containers/docker/Dockerfile +3 −1 Original line number Original line Diff line number Diff line Loading @@ -20,6 +20,8 @@ RUN apt update RUN DEBIAN_FRONTEND=noninteractive apt -y install intel-oneapi-compiler-fortran intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-compiler-dpcpp-cpp RUN DEBIAN_FRONTEND=noninteractive apt -y install intel-oneapi-compiler-fortran intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-compiler-dpcpp-cpp # install lapacke and its dependencies, both standard and the version with 64 bit integers # install lapacke and its dependencies, both standard and the version with 64 bit integers RUN DEBIAN_FRONTEND=noninteractive apt -y install liblapacke-dev liblapacke64-dev libopenblas-dev libopenblas-openmp-dev libopenblas64-dev libopenblas64-openmp-dev RUN DEBIAN_FRONTEND=noninteractive apt -y install liblapacke-dev liblapacke64-dev libopenblas-dev libopenblas-openmp-dev libopenblas64-dev libopenblas64-openmp-dev # install MPI stack RUN DEBIAN_FRONTEND=noninteractive apt -y install mpi-default-dev mpi-default-bin # install packages needed to run python scripts for checks # install packages needed to run python scripts for checks RUN DEBIAN_FRONTEND=noninteractive apt -y install python3 python-is-python3 python3-regex RUN DEBIAN_FRONTEND=noninteractive apt -y install python3 python-is-python3 python3-regex # install packages needed to run doxygen to create html docs # install packages needed to run doxygen to create html docs Loading Loading @@ -53,7 +55,7 @@ FROM debian:bookworm-slim AS np-tmcode-run-minimal WORKDIR /root WORKDIR /root # install the strictly needed runtime libraries needed to run the executables # install the strictly needed runtime libraries needed to run the executables # and the python check scripts # and the python check scripts RUN DEBIAN_FRONTEND=noninteractive apt update && DEBIAN_FRONTEND=noninteractive apt upgrade && DEBIAN_FRONTEND=noninteractive apt -y install libgfortran5 libgcc-s1 libhdf5-103-1 libstdc++6 libssl3 libcurl4 libsz2 zlib1g libnghttp2-14 libidn2-0 librtmp1 libssh2-1 libpsl5 libgssapi-krb5-2 libldap-2.5-0 libzstd1 libbrotli1 libaec0 libunistring2 libgmp10 libkrb5-3 libk5crypto3 libcom-err2 libkrb5support0 libsasl2-2 libp11-kit0 libtasn1-6 libkeyutils1 libffi8 liblapacke64 libopenblas64-0-openmp python3 python-is-python3 python3-regex hdf5-tools && rm -rf /var/lib/apt/lists/* RUN DEBIAN_FRONTEND=noninteractive apt update && DEBIAN_FRONTEND=noninteractive apt upgrade && DEBIAN_FRONTEND=noninteractive apt -y install libgfortran5 libgcc-s1 libhdf5-103-1 libstdc++6 libssl3 libcurl4 libsz2 zlib1g libnghttp2-14 libidn2-0 librtmp1 libssh2-1 libpsl5 libgssapi-krb5-2 libldap-2.5-0 libzstd1 libbrotli1 libaec0 libunistring2 libgmp10 libkrb5-3 libk5crypto3 libcom-err2 libkrb5support0 libsasl2-2 libp11-kit0 libtasn1-6 libkeyutils1 libffi8 liblapacke64 libopenblas64-0-openmp python3 python-is-python3 python3-regex hdf5-tools mpi-default-bin && rm -rf /var/lib/apt/lists/* COPY --from=np-tmcode-run-dev /root /root COPY --from=np-tmcode-run-dev /root /root # remove everything which is not needed to run the codes # remove everything which is not needed to run the codes RUN cd /root/np-tmcode && find build -name "*.o" -exec rm -v \{\} \; && find build -name "*.gcno" -exec rm -v \{\} \; && cd src && rm -rvf cluster libnptm trapping include sphere Makefile make.inc README.md && cd .. && rm -rvf containers && cd doc && rm -rvf src && cd build/latex && rm -rvf *.tex *.out *.sty *.ind *.log *.toc *.ilg *.idx *.aux *.eps Makefile class*.pdf RUN cd /root/np-tmcode && find build -name "*.o" -exec rm -v \{\} \; && find build -name "*.gcno" -exec rm -v \{\} \; && cd src && rm -rvf cluster libnptm trapping include sphere Makefile make.inc README.md && cd .. && rm -rvf containers && cd doc && rm -rvf src && cd build/latex && rm -rvf *.tex *.out *.sty *.ind *.log *.toc *.ilg *.idx *.aux *.eps Makefile class*.pdf Loading
containers/docker/README.md +0 −1 Original line number Original line Diff line number Diff line Loading @@ -26,4 +26,3 @@ where `<image name>` is either `np-tmcode` or `np-tmcode-run`. One may also add WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and See the License for the specific language governing permissions and limitations under the License. limitations under the License.
containers/singularity/README.md +0 −1 Original line number Original line Diff line number Diff line Loading @@ -33,4 +33,3 @@ where `<full path to image name>` is the name of the sif image, including full o WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and See the License for the specific language governing permissions and limitations under the License. limitations under the License.