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qcxms / QCxMS

Quantum mechanic mass spectrometry calculation program
https://xtb-docs.readthedocs.io/en/latest/qcxms_doc/qcxms.html
GNU Lesser General Public License v3.0
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tblite/api/version.f90(20): error #7002: Error in opening the compiled module file. #15

Closed tobigithub closed 3 years ago

tobigithub commented 3 years ago

Hello, I completely purged my old sources and downloaded the current QCxMS sources (QCxMS-v.5.1.1) again however the tblite submodule fails. Before the purge I was able to compile it. T.

 meson setup build -Dfortran_link_args=-static --reconfigure
The Meson build system
Version: 0.59.0
Source dir: /home/user/qcxms-build/QCxMS-main
Build dir: /home/user/qcxms-build/QCxMS-main/build
Build type: native build
Project name: qcxms
Project version: 5.1.1
Fortran compiler for the host machine: ifort (intel 19.0.5.281 "ifort (IFORT) 19.0.5.281 20190815")
Fortran linker for the host machine: ifort ld.bfd 2.26.1
Host machine cpu family: x86_64
Host machine cpu: x86_64
Dependency openmp found: YES 5.0-revision1 (cached)
Library mkl_intel_lp64 found: YES
Library mkl_intel_thread found: YES
Library mkl_core found: YES

Executing subproject tblite

tblite| Project name: tblite
tblite| Project version: 0.1.0
tblite| Fortran compiler for the host machine: ifort (intel 19.0.5.281 "ifort (IFORT) 19.0.5.281 20190815")
tblite| Fortran linker for the host machine: ifort ld.bfd 2.26.1
tblite| C compiler for the host machine: icc (intel 19.0.5.281 "icc (ICC) 19.0.5.281 20190815")
tblite| C linker for the host machine: icc ld.bfd 2.26.1
tblite| Dependency openmp found: YES 5.0-revision1 (cached)
tblite| Library mkl_intel_lp64 found: YES
tblite| Library mkl_intel_thread found: YES
tblite| Library mkl_core found: YES
tblite| Found pkg-config: /usr/bin/pkg-config (0.29.1)
tblite| Found CMake: /usr/bin/cmake (3.5.1)
tblite| WARNING: CMake Toolchain: Failed to determine CMake compilers state
tblite| Run-time dependency mctc-lib found: NO (tried pkgconfig and cmake)

Executing subproject tblite:mctc-lib

mctc-lib| Project name: mctc-lib
mctc-lib| Project version: 0.2.3
mctc-lib| Fortran compiler for the host machine: ifort (intel 19.0.5.281 "ifort (IFORT) 19.0.5.281 20190815")
mctc-lib| Fortran linker for the host machine: ifort ld.bfd 2.26.1
mctc-lib| Dependency openmp found: YES 5.0-revision1 (cached)
mctc-lib| Build targets in project: 3
mctc-lib| Subproject mctc-lib finished.

tblite| Run-time dependency multicharge found: NO (tried pkgconfig and cmake)

Executing subproject tblite:multicharge

multicharge| Project name: multicharge
multicharge| Project version: 0.1.2
multicharge| Fortran compiler for the host machine: ifort (intel 19.0.5.281 "ifort (IFORT) 19.0.5.281 20190815")
multicharge| Fortran linker for the host machine: ifort ld.bfd 2.26.1
multicharge| Dependency openmp found: YES 5.0-revision1 (cached)
multicharge| Library mkl_intel_lp64 found: YES
multicharge| Library mkl_intel_thread found: YES
multicharge| Library mkl_core found: YES
multicharge| WARNING: Subproject 'mctc-lib' did not override 'mctc-lib' dependency and no variable name specified
multicharge| Dependency mctc-lib from subproject subprojects/mctc-lib found: NO

Executing subproject tblite:multicharge:mstore

mstore| Project name: mstore
mstore| Project version: 0.2.0
mstore| Fortran compiler for the host machine: ifort (intel 19.0.5.281 "ifort (IFORT) 19.0.5.281 20190815")
mstore| Fortran linker for the host machine: ifort ld.bfd 2.26.1
mstore| Dependency openmp found: YES 5.0-revision1 (cached)
mstore| WARNING: Subproject 'mctc-lib' did not override 'mctc-lib' dependency and no variable name specified
mstore| Dependency mctc-lib from subproject subprojects/mctc-lib found: NO
mstore| Build targets in project: 8
mstore| Subproject mstore finished.

multicharge| Build targets in project: 9
multicharge| Subproject multicharge finished.

tblite| Run-time dependency dftd4 found: NO (tried pkgconfig and cmake)

Executing subproject tblite:dftd4

dftd4| Project name: dftd4
dftd4| Project version: 3.3.0
dftd4| Fortran compiler for the host machine: ifort (intel 19.0.5.281 "ifort (IFORT) 19.0.5.281 20190815")
dftd4| Fortran linker for the host machine: ifort ld.bfd 2.26.1
dftd4| C compiler for the host machine: icc (intel 19.0.5.281 "icc (ICC) 19.0.5.281 20190815")
dftd4| C linker for the host machine: icc ld.bfd 2.26.1
dftd4| Dependency openmp found: YES 5.0-revision1 (cached)
dftd4| Library mkl_intel_lp64 found: YES
dftd4| Library mkl_intel_thread found: YES
dftd4| Library mkl_core found: YES
dftd4| WARNING: Subproject 'mctc-lib' did not override 'mctc-lib' dependency and no variable name specified
dftd4| Dependency mctc-lib from subproject subprojects/mctc-lib found: NO
dftd4| WARNING: Subproject 'multicharge' did not override 'multicharge' dependency and no variable name specified
dftd4| Dependency multicharge from subproject subprojects/multicharge found: NO
dftd4| Program tester.py found: YES (/home/user/qcxms-build/QCxMS-main/subprojects/dftd4/app/tester.py)
dftd4| Build targets in project: 13
dftd4| Subproject dftd4 finished.

tblite| Run-time dependency s-dftd3 found: NO (tried pkgconfig and cmake)

Executing subproject tblite:s-dftd3

s-dftd3| Project name: s-dftd3
s-dftd3| Project version: 0.4.1
s-dftd3| Fortran compiler for the host machine: ifort (intel 19.0.5.281 "ifort (IFORT) 19.0.5.281 20190815")
s-dftd3| Fortran linker for the host machine: ifort ld.bfd 2.26.1
s-dftd3| C compiler for the host machine: icc (intel 19.0.5.281 "icc (ICC) 19.0.5.281 20190815")
s-dftd3| C linker for the host machine: icc ld.bfd 2.26.1
s-dftd3| Dependency OpenMP found: YES 5.0-revision1 (cached)
s-dftd3| WARNING: Subproject 'mctc-lib' did not override 'mctc-lib' dependency and no variable name specified
s-dftd3| Dependency mctc-lib from subproject subprojects/mctc-lib found: NO
s-dftd3| Build targets in project: 17
s-dftd3| Subproject s-dftd3 finished.

tblite| Run-time dependency toml-f found: NO (tried pkgconfig and cmake)

Executing subproject tblite:toml-f

toml-f| Project name: toml-f
toml-f| Project version: 0.2.2
toml-f| Fortran compiler for the host machine: ifort (intel 19.0.5.281 "ifort (IFORT) 19.0.5.281 20190815")
toml-f| Fortran linker for the host machine: ifort ld.bfd 2.26.1
toml-f| Program go found: YES (/snap/bin/go)
toml-f| Build targets in project: 24
toml-f| Subproject toml-f finished.

tblite| Program tester.py found: YES (/home/user/anaconda3/bin/python /home/user/qcxms-build/QCxMS-main/subprojects/tblite/test/validation/tester.py)
tblite| Build targets in project: 28
tblite| Subproject tblite finished.

Build targets in project: 30

qcxms 5.1.1

  Subprojects
    dftd4      : YES 2 warnings
    mctc-lib   : YES
    mstore     : YES 1 warnings
    multicharge: YES 1 warnings
    s-dftd3    : YES 1 warnings
    tblite     : YES 1 warnings
    toml-f     : YES

Found ninja-1.9.0 at /home/user/ninja/ninja
user@dualgpu:~/qcxms-build/QCxMS-main$ ninja -C build
ninja: Entering directory `build'
[197/425] Compiling Fortran object subprojects/tblite/libtblite.a.p/src_tblite_api_version.f90.o
FAILED: subprojects/tblite/libtblite.a.p/src_tblite_api_version.f90.o
ifort -Isubprojects/tblite/libtblite.a.p -Isubprojects/tblite -I../subprojects/tblite -Isubprojects/mctc-lib/libmctc-lib.a.p -Isubprojects/multicharge/libmulticharge.a.p -Isubprojects/dftd4/libdftd4.a.p -I../subprojects/dftd4/include -Isubprojects/s-dftd3/libs-dftd3.a.p -I../subprojects/s-dftd3/include -Isubprojects/toml-f/libtoml-f.a.p -D_FILE_OFFSET_BITS=64 -warn general -warn truncated_source -g -traceback -O2 -g -traceback -fPIC -qopenmp -qopenmp -module subprojects/tblite/libtblite.a.p -gen-dep=subprojects/tblite/libtblite.a.p/src_tblite_api_version.f90.o -gen-depformat=make -o subprojects/tblite/libtblite.a.p/src_tblite_api_version.f90.o -c ../subprojects/tblite/src/tblite/api/version.f90
../subprojects/tblite/src/tblite/api/version.f90(20): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [TBLITE_VERSION]
   use tblite_version, only : get_tblite_version
-------^
../subprojects/tblite/src/tblite/api/version.f90(20): error #6580: Name in only-list does not exist or is not accessible.   [GET_TBLITE_VERSION]
   use tblite_version, only : get_tblite_version
------------------------------^
../subprojects/tblite/src/tblite/api/version.f90(37): error #6406: Conflicting attributes or multiple declaration of name.   [GET_TBLITE_VERSION]
   call get_tblite_version(major, minor, patch)
--------^
compilation aborted for ../subprojects/tblite/src/tblite/api/version.f90 (code 1)
[207/425] Compiling Fortran object subprojects/tblite/libtblite.a.p/src_tblite_xtb_h0.f90.o
ninja: build stopped: subcommand failed.
awvwgk commented 3 years ago

Found ninja-1.9.0 at /home/user/ninja/ninja

Please upgrade your ninja version to 1.10, otherwise meson will fall back to the older shaky dependency resolution, which will miss some of the inter module dependencies. Unfortunately, we have no way to require ninja 1.10 or newer from the build files, but we explicitly specified it in the README.

tobigithub commented 3 years ago

Thanks.