Molcas Forum

emeriomartinez

Member

Registered: 2021-09-24

Posts: 2

CMake Error at CMakeLists.txt:3270 (install)

I think there is a logic error in the CMakeLists.txt file in that it expects the Fortran source files to be compiled and linked into executables during the cmake execution phase. The source files will be compiled and linked during the make (gmake) execution not before.

These are the source files (directories) that I am referring.

[root@kepler OpenMolcas]# ls -l src

drwxr-xr-x 2 root root  4096 Sep 24 14:16 alaska
drwxr-xr-x 2 root root  4096 Sep 24 14:16 alaska_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 amfi_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 aniso_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 averd
drwxr-xr-x 2 root root  4096 Sep 24 14:16 block_dmrg_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 caspt2
drwxr-xr-x 2 root root  4096 Sep 24 14:16 casvb
drwxr-xr-x 2 root root 20480 Sep 24 14:16 casvb_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 ccsdt
drwxr-xr-x 2 root root  4096 Sep 24 14:16 ccsd_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 ccsort_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 cct3_util
drwxr-xr-x 2 root root 12288 Sep 24 14:16 chcc
drwxr-xr-x 2 root root  4096 Sep 24 14:16 chemps2_util
drwxr-xr-x 2 root root 20480 Sep 24 14:16 cholesky_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 cht3
drwxr-xr-x 2 root root  4096 Sep 24 14:16 cpf
drwxr-xr-x 2 root root  4096 Sep 24 14:16 delayed_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 dft_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 dkh_old_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 dkh_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 dmrgscf
drwxr-xr-x 2 root root  4096 Sep 24 14:16 Driver
drwxr-xr-x 2 root root  4096 Sep 24 14:16 dynamix
drwxr-xr-x 2 root root  4096 Sep 24 14:16 embedding_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 espf
drwxr-xr-x 2 root root  4096 Sep 24 14:16 espf_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 expbas
drwxr-xr-x 2 root root  4096 Sep 24 14:16 extf
drwxr-xr-x 2 root root  4096 Sep 24 14:16 faiemp_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 false
drwxr-xr-x 2 root root  4096 Sep 24 14:16 ffpt
drwxr-xr-x 2 root root  4096 Sep 24 14:16 fmm_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 fock_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 gateway
drwxr-xr-x 2 root root  4096 Sep 24 14:16 gateway_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 ga_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 genano
drwxr-xr-x 2 root root  4096 Sep 24 14:16 grid_it
drwxr-xr-x 2 root root  4096 Sep 24 14:16 guessorb
drwxr-xr-x 2 root root  4096 Sep 24 14:16 guga
drwxr-xr-x 2 root root  4096 Sep 24 14:16 gugaci
drwxr-xr-x 2 root root  4096 Sep 24 14:16 gugadrt
drwxr-xr-x 2 root root  4096 Sep 24 14:16 hdf5_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 Include
drwxr-xr-x 2 root root  4096 Sep 24 14:16 input_util
drwxr-xr-x 2 root root 12288 Sep 24 14:16 integral_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 intsort_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 io_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 kriging_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 last_energy
drwxr-xr-x 2 root root  4096 Sep 24 14:16 ldf_fock_util
drwxr-xr-x 2 root root 12288 Sep 24 14:16 ldf_ri_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 LinAlg_internal
drwxr-xr-x 2 root root  4096 Sep 24 14:16 linalg_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 localisation
drwxr-xr-x 2 root root  4096 Sep 24 14:16 localisation_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 loprop
drwxr-xr-x 2 root root  4096 Sep 24 14:16 loprop_util
drwxr-xr-x 2 root root 12288 Sep 24 14:16 lucia_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 mbpt2
drwxr-xr-x 2 root root  4096 Sep 24 14:16 mckinley
drwxr-xr-x 2 root root 12288 Sep 24 14:16 mclr
drwxr-xr-x 2 root root  4096 Sep 24 14:16 mcpdft
drwxr-xr-x 2 root root  4096 Sep 24 14:16 misc_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 mma_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 molcas_ci_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 motra
drwxr-xr-x 2 root root  4096 Sep 24 14:16 mpprop
drwxr-xr-x 2 root root  4096 Sep 24 14:16 mpssi
drwxr-xr-x 2 root root  4096 Sep 24 14:16 mrci
drwxr-xr-x 2 root root  4096 Sep 24 14:16 msym_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 mula
drwxr-xr-x 2 root root  4096 Sep 24 14:16 nevpt2
drwxr-xr-x 2 root root  4096 Sep 24 14:16 nq_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 numerical_gradient
drwxr-xr-x 2 root root  4096 Sep 24 14:16 oneint_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 parnell
drwxr-xr-x 2 root root  4096 Sep 24 14:16 pcm_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 peekpoke_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 poly_aniso
drwxr-xr-x 2 root root  4096 Sep 24 14:16 ppint_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 property_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 qmstat
drwxr-xr-x 2 root root  4096 Sep 24 14:16 quadpack_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 quater
drwxr-xr-x 2 root root  4096 Sep 24 14:16 rasscf
drwxr-xr-x 2 root root  4096 Sep 24 14:16 rassi
drwxr-xr-x 2 root root  4096 Sep 24 14:16 restart_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 ri_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 rpa
drwxr-xr-x 2 root root  4096 Sep 24 14:16 runfile_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 rys_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 scf
drwxr-xr-x 2 root root  4096 Sep 24 14:16 seward
drwxr-xr-x 2 root root  4096 Sep 24 14:16 single_aniso
drwxr-xr-x 2 root root  4096 Sep 24 14:16 slapaf
drwxr-xr-x 2 root root  4096 Sep 24 14:16 slapaf_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 surfacehop
drwxr-xr-x 2 root root  4096 Sep 24 14:16 symmetrize
drwxr-xr-x 2 root root  4096 Sep 24 14:16 system_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 transform_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 vibrot
drwxr-xr-x 2 root root  4096 Sep 24 14:16 wfa
drwxr-xr-x 2 root root  4096 Sep 24 14:16 wfn_util
drwxr-xr-x 2 root root  4096 Sep 24 14:16 xml_util

Here is what I did and the error that I got. Thank you in advance. Emerio

[root@kepler emerio]# git clone [url]https://gitlab.com/Molcas/OpenMolcas.git[/url]

Cloning into 'OpenMolcas'...
remote: Enumerating objects: 82039, done.
remote: Counting objects: 100% (2424/2424), done.
remote: Compressing objects: 100% (784/784), done.
remote: Total 82039 (delta 1889), reused 2037 (delta 1639), pack-reused 79615
Receiving objects: 100% (82039/82039), 85.65 MiB | 13.98 MiB/s, done.
Resolving deltas: 100% (66974/66974), done.

[root@kepler emerio]# cd OpenMolcas

[root@kepler OpenMolcas]# git submodule update --init External/lapack

Submodule 'External/lapack' ([url]https://github.com/Reference-LAPACK/lapack.git[/url]) registered for path 'External/lapack'
Cloning into 'External/lapack'...
remote: Enumerating objects: 73583, done.
remote: Counting objects: 100% (1769/1769), done.
remote: Compressing objects: 100% (575/575), done.
remote: Total 73583 (delta 1389), reused 1453 (delta 1194), pack-reused 71814
Receiving objects: 100% (73583/73583), 24.16 MiB | 15.85 MiB/s, done.
Resolving deltas: 100% (68605/68605), done.
Submodule path 'External/lapack': checked out '6acc99d5f39130be7cec00fb835606042101a970'

[root@kepler emerio]# export PATH=/usr/local/cmake-3.12.4/bin:$PATH
[root@kepler emerio]# export PATH=/share/apps/python-3.7.7/bin:$PATH
[root@kepler emerio]# export PATH=/share/apps/perl-5.32.0/bin:$PATH
[root@kepler emerio]# export PATH=/share/apps/openmpi-2.1.6-gcc-4.8.5-ucx-1.8.1/bin:$PATH
[root@kepler emerio]# export LD_LIBRARY_PATH=/share/apps/openmpi-2.1.6-gcc-4.8.5-ucx-1.8.1/bin:$LD_LIBRARY_PATH

[root@kepler OpenMolcas]# mkdir build

[root@kepler OpenMolcas]# cd build

[root@kepler build]# cmake ..
-- The Fortran compiler identification is GNU 4.8.5
-- The C compiler identification is GNU 4.8.5
-- Check for working Fortran compiler: /usr/bin/f95
-- Check for working Fortran compiler: /usr/bin/f95  -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /usr/bin/f95 supports Fortran 90
-- Checking whether /usr/bin/f95 supports Fortran 90 -- yes
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Found PythonInterp: /share/apps/python-3.7.7/bin/python3 (found suitable version "3.7.7", minimum required is "3.0")
Configuring compilers:
Detecting Molcas version info:
-- OPENMOLCAS_VERSION: v21.06-111-g714b4b7
Detecting system info:
-- OS: Linux-x86_64
-- ADDRMODE: 64
-- PLATFORM: LINUX64
Configuring HDF5 support:
-- Could NOT find HDF5 (missing: HDF5_LIBRARIES HDF5_INCLUDE_DIRS C) (found version "")
-- HDF5 not found, it will be deactivated
Configuring linear algebra libraries:
-- Using internal LAPACK+BLAS libraries (SLOW!)
-- LINALG_LIBRARIES: lapack;blas
Gromacs interface DISABLED
BLOCK interface DISABLED
CHEMPS2 interface DISABLED
MSYM support DISABLED
QCMaquis DMRG support DISABLED
NECI interface DISABLED
EFP interface DISABLED
GEN1INT support DISABLED
libwfa support DISABLED
NEVPT2 support DISABLED
MolGUI DISABLED
Configuring runtime environment settings:
-- DEFMOLCASMEM:  2048
-- DEFMOLCASDISK: 20000
-- RUNSCRIPT:    $program $input
-- RUNBINARY:    $program
-- RUNBINARYSER: $program
Build type: Release
-- C compiler: /usr/bin/cc
-- C compiler flags:  -std=gnu99  -O2
-- Fortran compiler: /usr/bin/f95
-- Fortran compiler flags:  -fno-aggressive-loop-optimizations -cpp -fdefault-integer-8 -fmax-stack-var-size=1048576 -O2
-- Definitions: _MOLCAS_;_I8_;_LINUX_
-- Debug definitions:
-- pymolcas: added to targets
Copying hook "/tmp/emerio/OpenMolcas/sbin/pre-commit" into "/tmp/emerio/OpenMolcas/.git/hooks/pre-commit"
Definitions: -D_MOLCAS_;-D_I8_;-D_LINUX_
Configuring documentation
-- Sphinx compiler: /share/apps/python-3.7.7/bin/sphinx-build
-- LaTeX compiler: no latexmk available, pdf documentation disabled
Install directory: /opt/OpenMolcas
CMake Error at CMakeLists.txt:3270 (install):
  install TARGETS given target "alaska.exe" which does not exist in this
  directory.

-- Configuring incomplete, errors occurred!
See also "/tmp/emerio/OpenMolcas/build/CMakeFiles/CMakeOutput.log".

[root@kepler build]# grep -i error /tmp/emerio/OpenMolcas/build/CMakeFiles/CMakeOutput.log
[root@kepler build]#

[root@kepler build]# grep -i fail /tmp/emerio/OpenMolcas/build/CMakeFiles/CMakeOutput.log
[root@kepler build]#

[root@kepler build]# grep -i warn /tmp/emerio/OpenMolcas/build/CMakeFiles/CMakeOutput.log
[root@kepler build]#

[root@kepler build]# tail -20 /tmp/emerio/OpenMolcas/build/CMakeFiles/CMakeOutput.log

Detecting C [-std=c90] compiler features compiled with the following output:
Change Dir: /tmp/emerio/OpenMolcas/build/CMakeFiles/CMakeTmp

Run Build Command:"/usr/bin/gmake" "cmTC_b9b29/fast"
/usr/bin/gmake -f CMakeFiles/cmTC_b9b29.dir/build.make CMakeFiles/cmTC_b9b29.dir/build
gmake[1]: Entering directory `/tmp/emerio/OpenMolcas/build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_b9b29.dir/feature_tests.c.o
/usr/bin/cc   -std=c90 -o CMakeFiles/cmTC_b9b29.dir/feature_tests.c.o   -c /tmp/emerio/OpenMolcas/build/CMakeFiles/feature_tests.c
Linking C executable cmTC_b9b29
/usr/local/cmake-3.12.4/bin/cmake -E cmake_link_script CMakeFiles/cmTC_b9b29.dir/link.txt --verbose=1
/usr/bin/cc      CMakeFiles/cmTC_b9b29.dir/feature_tests.c.o  -o cmTC_b9b29
gmake[1]: Leaving directory `/tmp/emerio/OpenMolcas/build/CMakeFiles/CMakeTmp'


    Feature record: C_FEATURE:1c_function_prototypes
    Feature record: C_FEATURE:0c_restrict
    Feature record: C_FEATURE:0c_static_assert
    Feature record: C_FEATURE:0c_variadic_macros

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,011

Re: CMake Error at CMakeLists.txt:3270 (install)

Since it generally works flawlessly in most cases, that is obviously not the problem. CMake does not expect the files to be compiled and linked at that stage, but it has to know that they will be later. The problem seems to be that for some reason CMake did not create the rules for generating alaska.exe (and probably every other program), but I don't know why that could be. Is there anything "strange" with your filesystem (e.g. is it a Mac or Windows, or a network fs, or are you cloning/building in a symlinked directory)? That could (just a guess) affect CMake's discovery of source files and creation of targets.

emeriomartinez

Member

Registered: 2021-09-24

Posts: 2

Re: CMake Error at CMakeLists.txt:3270 (install)

Ignacio,

Thank you for the feedback. The OS is CentOS 7.4. The Linux filesystem is a local EXT4 filesystem. I am building the source under the /tmp directory and I am not using any symbolic links. I found that the issue was with the cmake version 3.12.4 that was being used. I installed cmake version 3.21.3 and OpenMolcas installed successfully. Again, thank you for the input.

Emerio