[AMBER] Amber 20 / AmberTools 21 on Centos 9 / Cmake Error

From: Giorgos Lambrinidis <lambrinidis.pharm.uoa.gr>
Date: Mon, 11 Apr 2022 18:55:46 +0300

Dear colleagues,

I just installed centos 9 upstream.

I tried to compile amber 20 with ambertools 21.

The run_cmake command gives the following result (1).

However when i run make install i get an error regarding the boost
variables as i can figure out (2)


(1) run_cmake command output

-- 
**************************************************************************
--                               Build Report
--                              Compiler Flags:
-- C No-Opt:           -Wall -Wno-unused-function -Wno-unknown-pragmas 
-Wno-unused-variable -Wno-unused-but-set-variable -fcommon -O0
-- C Optimized:        -Wall -Wno-unused-function -Wno-unknown-pragmas 
-Wno-unused-variable -Wno-unused-but-set-variable -fcommon -O3 
-mtune=native
-- 
-- CXX No-Opt:         -Wall -Wno-unused-function -Wno-unknown-pragmas 
-Wno-unused-local-typedefs -Wno-unused-variable 
-Wno-unused-but-set-variable -O0
-- CXX Optimized:      -Wall -Wno-unused-function -Wno-unknown-pragmas 
-Wno-unused-local-typedefs -Wno-unused-variable 
-Wno-unused-but-set-variable -O3 -mtune=native
-- 
-- Fortran No-Opt:     -Wall -Wno-tabs -Wno-unused-function 
-ffree-line-length-none -Wno-unused-dummy-argument -Wno-unused-variable 
-fallow-argument-mismatch -fno-inline-arg-packing -O0
-- Fortran Optimized:  -Wall -Wno-tabs -Wno-unused-function 
-ffree-line-length-none -Wno-unused-dummy-argument -Wno-unused-variable 
-fallow-argument-mismatch -fno-inline-arg-packing -O3 -mtune=native
-- 
--                           3rd Party Libraries
-- ---building bundled: 
-----------------------------------------------------
-- blas - for fundamental linear algebra calculations
-- lapack - for fundamental linear algebra calculations
-- arpack - for fundamental linear algebra calculations
-- ucpp - used as a preprocessor for the NAB compiler
-- netcdf - for creating trajectory data files
-- netcdf-fortran - for creating trajectory data files from Fortran
-- fftw - used to do Fourier transforms very quickly
-- readline - enables an interactive terminal in cpptraj
-- xblas - used for high-precision linear algebra calculations
-- boost - C++ support library
-- tng_io - enables GROMACS tng trajectory input in cpptraj
-- perlmol - chemistry library used by FEW
-- ---using installed: 
------------------------------------------------------
-- zlib - for various compression and decompression tasks
-- libbz2 - for bzip2 compression in cpptraj
-- libm - for fundamental math routines if they are not contained in the 
C library
-- ---disabled: ------------------------------------------------
-- c9x-complex - used as a support library on systems that do not have 
C99 complex.h support
-- lio - used by Sander to run certain QM routines on the GPU
-- apbs - used by Sander as an alternate Poisson-Boltzmann equation solver
-- pupil - used by Sander as an alternate user interface
-- plumed - used as an alternate MD backend for Sander
-- mkl - alternate implementation of lapack and blas that is tuned for 
speed
-- mbx - computes energies and forces for pmemd with the MB-pol model
--                                Features:
-- MPI:                     OFF
-- OpenMP:                  OFF
-- CUDA:                    OFF
-- Build Shared Libraries:  ON
-- Build GUI Interfaces:    ON
-- Build Python Programs:   ON
--  -Python Interpreter:    Internal Miniconda (version 3.9)
-- Build Perl Programs:     ON
-- Build configuration:     RELEASE
-- Target Processor:        x86_64
-- Build Documentation:     OFF
-- Sander Variants:         normal LES API LES-API
-- Install location:        /home/gl/Amber/amber20/
-- Installation of Tests:   ON
--                               Compilers:
--         C: GNU 11.2.1 (/usr/bin/gcc)
--       CXX: GNU 11.2.1 (/usr/bin/g++)
--   Fortran: GNU 11.2.1 (/usr/bin/gfortran)
--                              Building Tools:
-- addles amberlite ambpdb antechamber cifparse cphstats cpptraj emil 
etc few gbnsr6 gem.pmemd leap lib mdgx mm_pbsa mmpbsa_py moft nab 
ndiff-2.00 nfe-umbrella-slice nmode nmr_aux packmol_memgen paramfit 
parmed pbsa pdb4amber pmemd pymsmt pysander python_site_packages pytraj 
reduce rism sander saxs sebomd sff sqm xray xtalutil
--                            NOT Building Tools:
-- quick - BUILD_QUICK is not enabled
-- reaxff_puremd - BUILD_REAXFF_PUREMD is not enabled
-- gpu_utils - Requires CUDA
-- 
**************************************************************************
(2) make install error message
./boost/concept/usage.hpp: In instantiation of 
‘boost::concepts::usage_requirements<Model>::~usage_requirements() [with 
Model = boost::SinglePassRangeConcept<const 
boost::iterator_range<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > > >]’:
./boost/concept/detail/general.hpp:39:47:   required from ‘static void 
boost::concepts::requirement<boost::concepts::failed************ 
Model::************>::failed() [with Model = 
boost::concepts::usage_requirements<boost::SinglePassRangeConcept<const 
boost::iterator_range<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > > > >]’
./boost/range/concepts.hpp:284:9:   required from ‘struct 
boost::SinglePassRangeConcept<const 
boost::iterator_range<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > > >’
./boost/concept/detail/has_constraints.hpp:32:62:   required by 
substitution of ‘template<class Model> boost::concepts::detail::yes 
boost::concepts::detail::has_constraints_(Model*, 
boost::concepts::detail::wrap_constraints<Model, (& 
Model::constraints)>*) [with Model = boost::SinglePassRangeConcept<const 
boost::iterator_range<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > > >]’
./boost/concept/detail/has_constraints.hpp:42:5:   required from ‘const 
bool boost::concepts::not_satisfied<boost::SinglePassRangeConcept<const 
boost::iterator_range<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > > > >::value’
./boost/concept/detail/has_constraints.hpp:45:31:   required from 
‘struct 
boost::concepts::not_satisfied<boost::SinglePassRangeConcept<const 
boost::iterator_range<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > > > >’
./boost/mpl/if.hpp:63:11:   [ skipping 9 instantiation contexts, use 
-ftemplate-backtrace-limit=0 to disable ]
./boost/iterator/iterator_facade.hpp:901:3:   required from ‘typename 
boost::iterators::detail::enable_if_interoperable<Derived1, Derived2, 
typename boost::mpl::apply2<boost::iterators::detail::always_bool2, 
Derived1, Derived2>::type>::type boost::iterators::operator!=(const 
boost::iterators::iterator_facade<Derived1, V1, TC1, Reference1, 
Difference1>&, const boost::iterators::iterator_facade<Derived2, V2, 
TC2, Reference2, Difference2>&) [with Derived1 = 
boost::iterators::transform_iterator<boost::algorithm::detail::copy_iterator_rangeF<std::__cxx11::basic_string<char>, 
__gnu_cxx::__normal_iterator<char*, std::__cxx11::basic_string<char> > 
 >, boost::algorithm::split_iterator<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > >, boost::iterators::use_default, 
boost::iterators::use_default>; V1 = std::__cxx11::basic_string<char>; 
TC1 = boost::iterators::forward_traversal_tag; Reference1 = 
std::__cxx11::basic_string<char>; Difference1 = long int; Derived2 = 
boost::iterators::transform_iterator<boost::algorithm::detail::copy_iterator_rangeF<std::__cxx11::basic_string<char>, 
__gnu_cxx::__normal_iterator<char*, std::__cxx11::basic_string<char> > 
 >, boost::algorithm::split_iterator<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > >, boost::iterators::use_default, 
boost::iterators::use_default>; V2 = std::__cxx11::basic_string<char>; 
TC2 = boost::iterators::forward_traversal_tag; Reference2 = 
std::__cxx11::basic_string<char>; Difference2 = long int; typename 
boost::iterators::detail::enable_if_interoperable<Derived1, Derived2, 
typename boost::mpl::apply2<boost::iterators::detail::always_bool2, 
Derived1, Derived2>::type>::type = bool; typename 
boost::mpl::apply2<boost::iterators::detail::always_bool2, Derived1, 
Derived2>::type = bool]’
/usr/include/c++/11/bits/stl_vector.h:1562:21:   required from ‘void 
std::vector<_Tp, _Alloc>::_M_range_initialize(_InputIterator, 
_InputIterator, std::input_iterator_tag) [with _InputIterator = 
boost::iterators::transform_iterator<boost::algorithm::detail::copy_iterator_rangeF<std::__cxx11::basic_string<char>, 
__gnu_cxx::__normal_iterator<char*, std::__cxx11::basic_string<char> > 
 >, boost::algorithm::split_iterator<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > >, boost::iterators::use_default, 
boost::iterators::use_default>; _Tp = std::__cxx11::basic_string<char>; 
_Alloc = std::allocator<std::__cxx11::basic_string<char> >]’
/usr/include/c++/11/bits/stl_vector.h:657:23:   required from 
‘std::vector<_Tp, _Alloc>::vector(_InputIterator, _InputIterator, const 
allocator_type&) [with _InputIterator = 
boost::iterators::transform_iterator<boost::algorithm::detail::copy_iterator_rangeF<std::__cxx11::basic_string<char>, 
__gnu_cxx::__normal_iterator<char*, std::__cxx11::basic_string<char> > 
 >, boost::algorithm::split_iterator<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > >, boost::iterators::use_default, 
boost::iterators::use_default>; <template-parameter-2-2> = void; _Tp = 
std::__cxx11::basic_string<char>; _Alloc = 
std::allocator<std::__cxx11::basic_string<char> >; std::vector<_Tp, 
_Alloc>::allocator_type = 
std::allocator<std::__cxx11::basic_string<char> >]’
./boost/algorithm/string/iter_find.hpp:178:31:   required from 
‘SequenceSequenceT& boost::algorithm::iter_split(SequenceSequenceT&, 
RangeT&, FinderT) [with SequenceSequenceT = 
std::vector<std::__cxx11::basic_string<char> >; RangeT = 
std::__cxx11::basic_string<char>; FinderT = 
boost::algorithm::detail::token_finderF<boost::algorithm::detail::is_any_ofF<char> 
 >]’
./boost/algorithm/string/split.hpp:146:50:   required from 
‘SequenceSequenceT& boost::algorithm::split(SequenceSequenceT&, RangeT&, 
PredicateT, boost::algorithm::token_compress_mode_type) [with 
SequenceSequenceT = std::vector<std::__cxx11::basic_string<char> >; 
RangeT = std::__cxx11::basic_string<char>; PredicateT = 
boost::algorithm::detail::is_any_ofF<char>]’
libs/thread/src/pthread/thread.cpp:537:29:   required from here
./boost/concept/usage.hpp:16:48: warning: ‘this’ pointer is null [-Wnonnull]
    16 |     ~usage_requirements() { ((Model*)0)->~Model(); }
       |                             ~~~~~~~~~~~~~~~~~~~^~
./boost/concept/usage.hpp:30:7: note: in a call to non-static member 
function ‘boost::SinglePassRangeConcept<T>::~SinglePassRangeConcept() 
[with T = const 
boost::iterator_range<__gnu_cxx::__normal_iterator<char*, 
std::__cxx11::basic_string<char> > >]’
    30 |       ~model()
       |       ^
./boost/range/concepts.hpp:284:9: note: in expansion of macro 
‘BOOST_CONCEPT_USAGE’
   284 |         BOOST_CONCEPT_USAGE(SinglePassRangeConcept)
       |         ^~~~~~~~~~~~~~~~~~~
gcc.compile.c++ 
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/build/boost/bin.v2/libs/thread/build/gcc-ambercmake/debug/link-static/threadapi-pthread/threading-multi/pthread/once.o
gcc.compile.c++ 
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/build/boost/bin.v2/libs/thread/build/gcc-ambercmake/debug/link-static/threadapi-pthread/threading-multi/future.o
gcc.archive 
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/build/boost/bin.v2/libs/thread/build/gcc-ambercmake/debug/link-static/threadapi-pthread/threading-multi/libboost_thread.a
common.copy 
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/stage/lib/libboost_thread.a
gcc.compile.c++ 
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/build/boost/bin.v2/libs/timer/build/gcc-ambercmake/debug/link-static/threading-multi/auto_timers_construction.o
gcc.compile.c++ 
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/build/boost/bin.v2/libs/timer/build/gcc-ambercmake/debug/link-static/threading-multi/cpu_timer.o
gcc.archive 
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/build/boost/bin.v2/libs/timer/build/gcc-ambercmake/debug/link-static/threading-multi/libboost_timer.a
common.copy 
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/stage/lib/libboost_timer.a
...updated 124 targets...
The Boost C++ Libraries were successfully built!
The following directory should be added to compiler include paths:
     /home/gl/Amber/amber20_src/AmberTools/src/boost
The following directory should be added to linker library paths:
/home/gl/Amber/amber20_src/build/AmberTools/src/boost/stage/lib
[ 40%] No install step for 'boost_build'
[ 40%] Completed 'boost_build'
[ 40%] Built target boost_build
make: *** [Makefile:156: all] Error 2
-----------------------------------------
How can i bypass the boost compilation and use the one i installed via 
yum command?
Or there is something else i have to take into account to resolve the 
boost error?
Thank you in advance
Dr George Lamprinidis
-- 
“Good judgement is the result of experience and experience the result of
bad judgement.”
― Mark Twain
---------------------------------------------
Dr George Lambrinidis
Researcher & Laboratory Assistant Staff
School of Health Sciences
Faculty of Pharmacy
National & Kapodistrian University of Athens
Greece
tel:  +30 2107274304
       +30 2107274521
fax:  +30 2107274747
e-mail: lambrinidis.pharm.uoa.gr
                geolampr.gmail.com
---------------------------------------------
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Received on Mon Apr 11 2022 - 09:00:02 PDT
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