diff --git a/.travis.yml b/.travis.yml deleted file mode 100644 index 91a8516a4..000000000 --- a/.travis.yml +++ /dev/null @@ -1,39 +0,0 @@ -branches: - only: - - master - - travis - - -language: generic - - -jobs: - include: - - os: linux - dist: bionic - - -before_install: - - sudo apt-get install gfortran cmake fftw3-dev - - -script: - - gfortran -v - - g++ -v - - cmake --version - - echo $HOME - - echo $PWD - - -# fftw - - mkdir -p build/fftw/include - - cd build/fftw - - cp /usr/include/fftw3.h include/fftw3.h - - ln -s /usr/lib/x86_64-linux-gnu lib - - cd ../.. - - -# test tinker9 - - cd build - - opt=release host=1 prec=d fftw_dir=fftw cmake .. - - make test diff --git a/cmake/check-pgi b/cmake/check-pgi deleted file mode 100755 index 76912d3b6..000000000 --- a/cmake/check-pgi +++ /dev/null @@ -1,36 +0,0 @@ -#!/bin/bash - - -# This program checks the version of the Fortran compiler and the version -# of the c++ compiler that the PGI compiler is configured to, assuming the -# default c++ and Fortran compilers are of the same vendor. - - -# Run this program in a configured cmake build directory. -# cd build; ../cmake/check-pgi - - -if [ ! -f CMakeCache.txt ]; then - echo No CMakeCache.txt was found. - exit -fi - - -ACC_COMPILER=$(grep T9_ACC_COMPILER CMakeCache.txt | cut -d '=' -f 2-) -if [ $ACC_COMPILER = '' ]; then - echo No OpenACC compiler was used. - exit -fi -PGI_GCCVERSION=$(makelocalrc -o | grep "GCC version" | awk '{print $4}') - - -FORTRAN_COMPILER=$(grep CMAKE_Fortran_COMPILER:FILEPATH CMakeCache.txt | cut -d '=' -f 2-) -GCCVERSION=$($FORTRAN_COMPILER --version | grep GNU | awk '{print $NF}') - - -CONCLUDE () { - echo "ACC Compiler: " $ACC_COMPILER - echo "ACC is configured to: " Version $PGI_GCCVERSION "(of the Fortran compiler)" - echo "Fortran Compiler: " Version $GCCVERSION -} -CONCLUDE diff --git a/code-format.sh b/code-format.sh index d197aab7f..8f239ec64 100755 --- a/code-format.sh +++ b/code-format.sh @@ -3,8 +3,8 @@ DETECTED=$(clang-format --version) # Ubuntu clang-format version 10.0.1-++20200708123514+ef32c611aa2-1~exp1~20200707224111.189 DETECTED="${DETECTED##*clang-format version}" # 10.0.1-++20200708123514+ef32c611aa2-1~exp1~20200707224111.189 DETECTED="${DETECTED%%.*}" # 10 -if [ $DETECTED -lt 10 ]; then - echo Must use clang-format version 10.0.0+ +if [ $DETECTED -lt 14 ]; then + echo Must use clang-format version 14.0.0+ exit 1 fi diff --git a/ext/ext/catch2v3 b/ext/ext/catch2v3 index 97c48e0c3..5df88da16 160000 --- a/ext/ext/catch2v3 +++ b/ext/ext/catch2v3 @@ -1 +1 @@ -Subproject commit 97c48e0c343d26d50764fafdc90b1e630fbd10ce +Subproject commit 5df88da16e276f853cc0c45f4b570419be77dd43 diff --git a/include/tinker9.h b/include/tinker9.h index bd33626ef..be28b55c0 100644 --- a/include/tinker9.h +++ b/include/tinker9.h @@ -5,7 +5,7 @@ /// \addtogroup general /// \{ #define TINKER9_VERSION_MAJOR 1 -#define TINKER9_VERSION_MINOR 2 +#define TINKER9_VERSION_MINOR 3 #define TINKER9_VERSION_PATCH 0 /// \} @@ -28,7 +28,7 @@ " ### ### ""\n" \ " ### Tinker9 -- Software Tools for Molecular Design ###""\n" \ " ## ##""\n" \ -" ## Version 1.2.0 september 2022 ##""\n" \ +" ## Version 1.3.0 October 2022 ##""\n" \ " ## ##""\n" \ " ## Copyright (c) Zhi Wang & the Ponder Lab ##""\n" \ " ### All Rights Reserved ###""\n" \