undefined symbol: dgemm_

[yg2831]

I've got the error code during "make test"
ImportError: /home/kyg/.local/lib/python3.10/site-packages/quippy/quippy.cpython-310-x86_64-linux-gnu.so: undefined symbol: dgemm

I searched and figured out my MATH_LINKOPTS can be a key to solve this problem, but I don't know how to fix it
my setting is like this
MATH_LINKOPTS= -llapack.so -lblas.so -L/usr/lib/x86_64-linux-gnu/libblas.so -L/usr/lib/x86_64-linux-gnu/liblapack.so
I tried
-llapck -lblas
-llapack.so -lblas.so

and I appended "export LD_LIBRARY_PATH=/usr/lib/x86_64-linux-gnu" at my .bashrc

Plz help me

[bernstei]

Th "-L" options should only include the _directory_ that the libraries are in. The "-l" (lower case ell) options should include the library name _without_ the leading "lib" or the trailing ".a" or ".so" or anything else, so definitely "-llapack -lblas", assuming that's what those libraries are actually named on your system.

[jameskermode]

Also often the -L/directory option needs to come BEFORE the -llibrary options.

[yg2831]

MATH_LINKOPTS= -L/usr/lib/x86_64-linux-gnu -llapack -lblas

this is my final result.
-L option comes before -llbrary option and -L includes only directory, -l includes only library name.
but it doesn't work yet :(

it's my .bashrc info
export LD_LIBRARY_PATH=/usr/lib/x86_64-linux-gnu

and I checked nm
$ nm -D /usr/lib/x86_64-linux-gnu/liblapack.so | grep 'dgemm_'
U dgemm_
$ nm -D /usr/lib/x86_64-linux-gnu/libblas.so | grep 'dgemm_'
000000000004f360 T dgemm_

what can I do another trier ?
I appreciate for your help

[bernstei]

First, make sure that you cleaned up and recompiled after you changed those options. Can you upload the full output of the compilation and python install?

Also, what's the output of ldd /home/kyg/.local/lib/python3.10/site-packages/quippy/quippy.cpython-310-x86_64-linux-gnu.so ?

[yg2831]

Sorry for my late answer.
About the ldd ~~
there's no quippy.cpython~~ but is _quippy.cpython~~

and here's my compile log

---

kyg@kyg-H510:~/QUIP$ make test
Using QUIP_ARCH=linux_x86_64_gfortran, MODULES=libAtoms Potentials Utils, QUIP_ROOT=/home/kyg/QUIP

---

Making libAtoms

---

rm -f /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
cp /home/kyg/QUIP/src/libAtoms/Makefile /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C /home/kyg/QUIP/build/linux_x86_64_gfortran QUIP_ROOT=/home/kyg/QUIP VPATH=/home/kyg/QUIP/src/libAtoms -I/home/kyg/QUIP -I/home/kyg/QUIP/arch
make[1]: Entering directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
make[1]: Nothing to be done for 'default'.
make[1]: Leaving directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
rm /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile

---

Making Potentials

---

rm -f /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
cp /home/kyg/QUIP/src/Potentials/Makefile /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C /home/kyg/QUIP/build/linux_x86_64_gfortran QUIP_ROOT=/home/kyg/QUIP VPATH=/home/kyg/QUIP/src/Potentials -I/home/kyg/QUIP -I/home/kyg/QUIP/arch
make[1]: Entering directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
make[1]: Nothing to be done for 'default'.
make[1]: Leaving directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
rm /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile

---

Making Utils

---

rm -f /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
cp /home/kyg/QUIP/src/Utils/Makefile /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C /home/kyg/QUIP/build/linux_x86_64_gfortran QUIP_ROOT=/home/kyg/QUIP VPATH=/home/kyg/QUIP/src/Utils -I/home/kyg/QUIP -I/home/kyg/QUIP/arch
make[1]: Entering directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
make[1]: Nothing to be done for 'all'.
make[1]: Leaving directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
rm /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
LIBQUIP_OBJS="ts_params.o transition_state.o elasticity.o phonons.o restraints_constraints_xml.o crackparams.o cracktools.o real_space_covariance.o structure_analysis_traj_routines.o RS_SparseMatrix.o QUIP_Common.o Functions.o Ewald.o Multipole_Interactions.o Partridge_Schwenke_Dipole.o IPEwald.o Yukawa.o Multipoles.o IPModel_GAP.o IPModel_LJ.o IPModel_Morse.o IPModel_FC.o IPModel_SW.o IPModel_Tersoff.o IPModel_EAM_Ercolessi_Adams.o IPModel_Brenner.o IPModel_FS.o IPModel_BOP.o IPModel_FB.o IPModel_Si_MEAM.o IPModel_Brenner_Screened.o IPModel_Brenner_2002.o IPModel_TS.o IPModel_Glue.o IPModel_PartridgeSchwenke.o IPModel_Einstein.o IPModel_Coulomb.o IPModel_Sutton_Chen.o IPModel_FX.o IPModel_HFdimer.o IPModel_BornMayer.o IPModel_Custom.o IPModel_ConfiningMonomer.o IPModel_SW_VP.o IPModel_WaterDimer_Gillan.o IPModel_WaterTrimer_Gillan.o IPModel_Tether.o IPModel_LMTO_TBE.o IPModel_Multipoles.o IPModel_FC4.o IPModel_Spring.o IPModel_DispTS.o IPModel_SCME.o IPModel_MTP.o IPModel_MBD.o IPModel_ZBL.o IPModel_LinearSOAP.o IPModel_TTM_nF.o IPModel_CH4.o IPModel_vdW.o IPModel_RS.o IPModel_Template.o IP.o FilePot.o CallbackPot.o SocketPot.o Potential_simple.o AdjustablePotential.o Potential.o ElectrostaticEmbed.o quip_unified_wrapper.o quip_lammps_wrapper.o Potential_Precon_Minim.o lbfgs.o error.o kind_module.o System.o LinkedList.o ExtendableStr.o MPI_context.o Units.o linearalgebra.o Quaternions.o statistics.o Dictionary.o Table.o ParamReader.o PeriodicTable.o minimization.o Atoms_types.o Connection.o DomainDecomposition.o Atoms.o RigidBody.o Group.o angular_functions.o steinhardt_nelson_qw.o gamma_functions.o Constraints.o Thermostat.o Barostat.o DynamicalSystem.o Spline.o Sparse.o CInOutput.o clusters.o Structures.o frametools.o nye_tensor.o Topology.o Atoms_ll.o ringstat.o histogram1d.o find_surface_atoms.o k_means_clustering.o SocketTools.o partition.o libAtoms.o libAtoms_misc_utils.o libAtoms_utils_no_module.o f90wrap_stub.o ScaLAPACK.o Matrix.o task_manager.o md5.o cutil.o netcdf.o xyz.o sockets.o m_sax_types.o m_sax_tokenizer.o m_sax_reader.o m_sax_parser.o m_sax_operate.o m_sax_xml_source.o FoX_sax.o m_wxml_escape.o m_wxml_core.o m_wxml_overloads.o FoX_wxml.o FoX_utils.o fox_m_utils_mtprng.o fox_m_utils_uuid.o fox_m_utils_uri.o m_common_attrs.o m_common_buffer.o m_common_charset.o m_common_namespaces.o m_common_error.o m_common_elstack.o m_common_io.o FoX_common.o m_common_namecheck.o m_common_entities.o m_common_notations.o m_common_element.o m_common_struct.o m_common_entity_expand.o m_common_content_model.o fox_m_fsys_abort_flush.o fox_m_fsys_array_str.o fox_m_fsys_format.o fox_m_fsys_parse_input.o fox_m_fsys_count_parse_input.o fox_m_fsys_string.o fox_m_fsys_string_list.o fox_m_fsys_realtypes.o fox_m_fsys_varstr.o" &&
cd /home/kyg/QUIP/build/linux_x86_64_gfortran && for i in /home/kyg/QUIP/src/fox/objs.linux_x86_64_gfortran/lib/libFoX_sax.a /home/kyg/QUIP/src/fox/objs.linux_x86_64_gfortran/lib/libFoX_wxml.a /home/kyg/QUIP/src/fox/objs.linux_x86_64_gfortran/lib/libFoX_utils.a /home/kyg/QUIP/src/fox/objs.linux_x86_64_gfortran/lib/libFoX_common.a /home/kyg/QUIP/src/fox/objs.linux_x86_64_gfortran/lib/libFoX_fsys.a; do ar -x $i; done && ar -rcs libquip.a $LIBQUIP_OBJS
cd /home/kyg/QUIP/build/linux_x86_64_gfortran && cp libquip.a libquip_nostub.a && ar d libquip_nostub.a f90wrap_stub.o

---

Making Programs

---

rm -f /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
cp /home/kyg/QUIP/src/Programs/Makefile /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C /home/kyg/QUIP/build/linux_x86_64_gfortran QUIP_ROOT=/home/kyg/QUIP VPATH=/home/kyg/QUIP/src/Programs -I/home/kyg/QUIP -I/home/kyg/QUIP/arch
make[1]: Entering directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
make[1]: Nothing to be done for 'default'.
make[1]: Leaving directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
rm /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile

---

Making FilePot_drivers

---

rm -f /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
cp /home/kyg/QUIP/src/FilePot_drivers/Makefile /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C /home/kyg/QUIP/build/linux_x86_64_gfortran QUIP_ROOT=/home/kyg/QUIP VPATH=/home/kyg/QUIP/src/FilePot_drivers -I/home/kyg/QUIP -I/home/kyg/QUIP/arch
make[1]: Entering directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
make[1]: Nothing to be done for 'default'.
make[1]: Leaving directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
rm /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile

---

Making Structure_processors

---

rm -f /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
cp /home/kyg/QUIP/src/Structure_processors/Makefile /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C /home/kyg/QUIP/build/linux_x86_64_gfortran QUIP_ROOT=/home/kyg/QUIP VPATH=/home/kyg/QUIP/src/Structure_processors -I/home/kyg/QUIP -I/home/kyg/QUIP/arch
make[1]: Entering directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
make[1]: Nothing to be done for 'default'.
make[1]: Leaving directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
rm /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile

---

Making quippy

---

rm -f /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
cp /home/kyg/QUIP/quippy/Makefile /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C /home/kyg/QUIP/build/linux_x86_64_gfortran QUIP_ROOT=/home/kyg/QUIP -I/home/kyg/QUIP -I/home/kyg/QUIP/arch build
make[1]: Entering directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
make[1]: -c: No such file or directory
make[1]: -c: No such file or directory
make[1]: -c: No such file or directory
make[1]: -c: No such file or directory
make[1]: -c: No such file or directory
/usr/bin/pip install "f90wrap>=0.2.6"
Defaulting to user installation because normal site-packages is not writeable
Requirement already satisfied: f90wrap>=0.2.6 in /home/kyg/.local/lib/python3.10/site-packages (0.2.13)
Requirement already satisfied: numpy>=1.13 in /home/kyg/.local/lib/python3.10/site-packages (from f90wrap>=0.2.6) (1.25.1)
DEPRECATION: distro-info 1.1build1 has a non-standard version number. pip 23.3 will enforce this behaviour change. A possible replacement is to upgrade to a newer version of distro-info or contact the author to suggest that they release a version with a conforming version number. Discussion can be found at pypa/pip#12063
/home/kyg/QUIP/bin/gitversion --hash-only > VERSION
cp -r ../../quippy/quippy/*.py quippy
make[1]: Leaving directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
rm /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile

---

Installing quippy

---

rm -f /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
cp /home/kyg/QUIP/quippy/Makefile /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C /home/kyg/QUIP/build/linux_x86_64_gfortran QUIP_ROOT=/home/kyg/QUIP -I/home/kyg/QUIP -I/home/kyg/QUIP/arch install
make[1]: Entering directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
make[1]: -c: No such file or directory
make[1]: -c: No such file or directory
make[1]: -c: No such file or directory
make[1]: -c: No such file or directory
make[1]: -c: No such file or directory
/usr/bin/pip install "f90wrap>=0.2.6"
Defaulting to user installation because normal site-packages is not writeable
Requirement already satisfied: f90wrap>=0.2.6 in /home/kyg/.local/lib/python3.10/site-packages (0.2.13)
Requirement already satisfied: numpy>=1.13 in /home/kyg/.local/lib/python3.10/site-packages (from f90wrap>=0.2.6) (1.25.1)
DEPRECATION: distro-info 1.1build1 has a non-standard version number. pip 23.3 will enforce this behaviour change. A possible replacement is to upgrade to a newer version of distro-info or contact the author to suggest that they release a version with a conforming version number. Discussion can be found at pypa/pip#12063
/home/kyg/QUIP/bin/gitversion --hash-only > VERSION
cp -r ../../quippy/quippy/*.py quippy
cp ../../README.md ../../quippy/setup.py .
cp quip md vasp_driver quippy/
/usr/bin/pip install .
Defaulting to user installation because normal site-packages is not writeable
Processing /home/kyg/QUIP/build/linux_x86_64_gfortran
Preparing metadata (setup.py) ... done
Requirement already satisfied: ase>=3.17.0 in /home/kyg/.local/lib/python3.10/site-packages (from quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (3.22.1)
Requirement already satisfied: f90wrap>=0.2.6 in /home/kyg/.local/lib/python3.10/site-packages (from quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (0.2.13)
Requirement already satisfied: numpy>=1.13 in /home/kyg/.local/lib/python3.10/site-packages (from quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (1.25.1)
Requirement already satisfied: matplotlib>=3.1.0 in /home/kyg/.local/lib/python3.10/site-packages (from ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (3.7.2)
Requirement already satisfied: scipy>=1.1.0 in /home/kyg/.local/lib/python3.10/site-packages (from ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (1.11.1)
Requirement already satisfied: contourpy>=1.0.1 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (1.1.0)
Requirement already satisfied: cycler>=0.10 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (0.11.0)
Requirement already satisfied: fonttools>=4.22.0 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (4.41.1)
Requirement already satisfied: kiwisolver>=1.0.1 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (1.4.4)
Requirement already satisfied: packaging>=20.0 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (23.1)
Requirement already satisfied: pillow>=6.2.0 in /usr/lib/python3/dist-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (9.0.1)
Requirement already satisfied: pyparsing<3.1,>=2.3.1 in /usr/lib/python3/dist-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (2.4.7)
Requirement already satisfied: python-dateutil>=2.7 in /usr/lib/python3/dist-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase==0.9+git0.9.14.2.gb0e43ebef.dirty) (2.8.1)
Building wheels for collected packages: quippy-ase
Building wheel for quippy-ase (setup.py) ... done
Created wheel for quippy-ase: filename=quippy_ase-0.9+git0.9.14.2.gb0e43ebef.dirty-cp310-cp310-linux_x86_64.whl size=8253738 sha256=99c27fca9063f6826ff11c95c3605946c1e67f67fc7353ba1a437897c6220d9a
Stored in directory: /tmp/pip-ephem-wheel-cache-luehe47z/wheels/d6/db/9a/35209a9dbf39967be8ab5c6e076d7f2daca271950fc0c586d8
Successfully built quippy-ase
DEPRECATION: distro-info 1.1build1 has a non-standard version number. pip 23.3 will enforce this behaviour change. A possible replacement is to upgrade to a newer version of distro-info or contact the author to suggest that they release a version with a conforming version number. Discussion can be found at pypa/pip#12063
Installing collected packages: quippy-ase
Attempting uninstall: quippy-ase
Found existing installation: quippy-ase 0.9+git0.9.14.2.gb0e43ebef.dirty
Uninstalling quippy-ase-0.9+git0.9.14.2.gb0e43ebef.dirty:
Successfully uninstalled quippy-ase-0.9+git0.9.14.2.gb0e43ebef.dirty
WARNING: The scripts md, quip, quip-config and vasp_driver are installed in '/home/kyg/.local/bin' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Successfully installed quippy-ase-0.9+git0.9.14.2.gb0e43ebef.dirty
make[1]: Leaving directory '/home/kyg/QUIP/build/linux_x86_64_gfortran'
rm /home/kyg/QUIP/build/linux_x86_64_gfortran/Makefile
make -C tests -I/home/kyg/QUIP -I/home/kyg/QUIP/arch -I/home/kyg/QUIP/build/linux_x86_64_gfortran
make[1]: Entering directory '/home/kyg/QUIP/tests'
HAVE_GAP=0 HAVE_SCALAPACK=0 QUIP_ARCH=linux_x86_64_gfortran python3 run_all.py -v
/home/kyg/QUIP/tests/run_all.py:22: DeprecationWarning: The distutils package is deprecated and slated for removal in Python 3.12. Use setuptools or check PEP 632 for potential alternatives
from distutils.util import get_platform
/home/kyg/QUIP/tests/run_all.py:23: DeprecationWarning: The distutils.sysconfig module is deprecated, use sysconfig instead
from distutils.sysconfig import get_python_version
Traceback (most recent call last):
File "/home/kyg/QUIP/tests/run_all.py", line 25, in
import quippy
File "/home/kyg/.local/lib/python3.10/site-packages/quippy/init.py", line 2, in
import quippy._quippy
ImportError: /home/kyg/.local/lib/python3.10/site-packages/quippy/quippy.cpython-310-x86_64-linux-gnu.so: undefined symbol: dgemm
make[1]: *** [Makefile:31: all] Error 1
make[1]: Leaving directory '/home/kyg/QUIP/tests'
make: *** [Makefile:296: test] Error 2

[bernstei]

there's no quippy.cpython~~ but is _quippy.cpython~~

Umm - this line

ImportError: /home/kyg/.local/lib/python3.10/site-packages/quippy/quippy.cpython-310-x86_64-linux-gnu.so: undefined symbol: dgemm

lists a file. Does that file actually not exist?

[yg2831]

kyg@kyg-H510:~/.local/lib/python3.10/site-packages/quippy$ ls
atoms_module.py dynamicalsystem_module.py nye_tensor.py _quippy.cpython-310-x86_64
atoms_types_module.py dynamicalsystem.py potential_module.py _quippy.cpython-310-x86_64-linux-gnu.so
cli.py gap_tools.py potential.py system_module.py
convert.py init.py potential_simple_module.py test.py
descriptors.py md pycache vasp_driver
dictionary_module.py nye_tensor_module.py quip

I changed _quippy.cpython-310-x86_64-linux-gnu.so > quippy.cpython-310-x86_64-linux-gnu.so
by ImportError: /home/kyg/.local/lib/python3.10/site-packages/quippy/quippy.cpython-310-x86_64-linux-gnu.so: undefined symbol: dgemm but during "make test" process "make install" get start so another _quippy.cpython-310-x86_64-linux-gnu.so is produced and error is same :(

[bernstei]

First, please use code blocks (three back quotes) when pasting command output, otherwise the spacing gets messed up.

Second, don't blindly rename files in automatically installed directories - that's essentially never a good idea.

I'm not sure why the filename has an extra underscore, but please paste the output of ldd on the file with the closest name, e.g.

ldd /home/kyg/.local/lib/python3.10/site-packages/quippy/*.so

[yg2831]

Thx for ur advice.

ldd /home/kyg/.local/lib/python3.10/site-packages/quippy/*.so
output ->
linux-vdso.so.1 (0x00007ffca19ba000)
libgfortran.so.5 => /usr/lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f0cfaa00000)
libm.so.6 => /usr/lib/x86_64-linux-gnu/libm.so.6 (0x00007f0cfad19000)
libmvec.so.1 => /usr/lib/x86_64-linux-gnu/libmvec.so.1 (0x00007f0cfa903000)
libgcc_s.so.1 => /usr/lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f0d0110a000)
libc.so.6 => /usr/lib/x86_64-linux-gnu/libc.so.6 (0x00007f0cfa600000)
libquadmath.so.0 => /usr/lib/x86_64-linux-gnu/libquadmath.so.0 (0x00007f0d010c0000) /lib64/ld-linux-x86-64.so.2 (0x00007f0d0112c000)

[bernstei]

I'm at a loss. The filename starting with underscore is true on my installation too, so I guess that's normal. Do you get the error if you do

python -c "import quippy"

(or python3 or whatever the right python 3.10 executable is named)

Also, is there a specific reason you're not just using the pip installation?

[yg2831]

kyg@kyg-H510:~$ python3 -c "import quippy"
Traceback (most recent call last):
File "<string>", line 1, in <module>
File "/home/kyg/.local/lib/python3.10/site-packages/quippy/__init__.py", line 2, in <module>
import quippy._quippy
ImportError: /home/kyg/.local/lib/python3.10/site-packages/quippy/_quippy.cpython-310-x86_64-linux-gnu.so: undefined symbol: dgemm_

i don't understand I'm not using the pip installation,
Pip installation for what??

[bernstei]

Pip installation for what??

For quip/quippy - python3 -m pip install quippy-ase. I've been assuming, given that your make test is failing during the python part, that what you want is the python interface, although the python installation also includes some of the fortran executables, including gap_fit, quip, md, and maybe a couple others.

[yg2831]

u mean, i have to proceed python3 -m pip install quippy-ase?

but i think i already got this
kyg@kyg-H510:~/QUIP/build/linux_x86_64_gfortran$ python3 -m pip install quippy-ase

Defaulting to user installation because normal site-packages is not writeable
Requirement already satisfied: quippy-ase in /home/kyg/.local/lib/python3.10/site-packages (0.9+git0.9.14.2.gb0e43ebef.dirty)
Requirement already satisfied: ase>=3.17.0 in /home/kyg/.local/lib/python3.10/site-packages (from quippy-ase) (3.22.1)
Requirement already satisfied: f90wrap>=0.2.6 in /home/kyg/.local/lib/python3.10/site-packages (from quippy-ase) (0.2.13)
Requirement already satisfied: numpy>=1.13 in /home/kyg/.local/lib/python3.10/site-packages (from quippy-ase) (1.25.1)
Requirement already satisfied: matplotlib>=3.1.0 in /home/kyg/.local/lib/python3.10/site-packages (from ase>=3.17.0->quippy-ase) (3.7.2)
Requirement already satisfied: scipy>=1.1.0 in /home/kyg/.local/lib/python3.10/site-packages (from ase>=3.17.0->quippy-ase) (1.11.1)
Requirement already satisfied: contourpy>=1.0.1 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase) (1.1.0)
Requirement already satisfied: cycler>=0.10 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase) (0.11.0)
Requirement already satisfied: fonttools>=4.22.0 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase) (4.41.1)
Requirement already satisfied: kiwisolver>=1.0.1 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase) (1.4.4)
Requirement already satisfied: packaging>=20.0 in /home/kyg/.local/lib/python3.10/site-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase) (23.1)
Requirement already satisfied: pillow>=6.2.0 in /usr/lib/python3/dist-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase) (9.0.1)
Requirement already satisfied: pyparsing<3.1,>=2.3.1 in /usr/lib/python3/dist-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase) (2.4.7)
Requirement already satisfied: python-dateutil>=2.7 in /usr/lib/python3/dist-packages (from matplotlib>=3.1.0->ase>=3.17.0->quippy-ase) (2.8.1)
DEPRECATION: distro-info 1.1build1 has a non-standard version number. pip 23.3 will enforce this behaviour change. A possible replacement is to upgrade to a newer version of distro-info or contact the author to suggest that they release a version with a conforming version number. Discussion can be found at https://github.com/pypa/pip/issues/12063