search

theochem / horton

HORTON: Helpful Open-source Research TOol for N-fermion systems
http://theochem.github.io/horton/
GNU General Public License v3.0
92 stars 40 forks source link

Fix mistakes in MANIFEST.in #232

Closed tovrstra closed 7 years ago

tovrstra commented 7 years ago

This fixes some missing lines in the MANIFEST.in file, as in e.g. #231.

tovrstra commented 7 years ago

@HenriqueCSJ: can you give the following archive a try? (deleted) (https://github.com/theochem/horton/files/1054202/horton-2.0.2.tar.gz) Thanks.

HenriqueCSJ commented 7 years ago

Hi, thank you for the quick action on taking care of this. It still fails:

In file included from ./horton/gbasis/ints.h:26:0,
                 from horton/gbasis/ints.cpp:30:
/usr/include/libint2.h:32:28: fatal error: libint2_params.h: No such file or directory
 #include <libint2_params.h>
                            ^
compilation terminated.
error: command 'gcc' failed with exit status 1

Probably because the file is in a slightly different directory:

[root@site horton-2.0.2]# locate libint2_params.h
/usr/include/libint2/libint2_params.h
tovrstra commented 7 years ago

New attempt:

tovrstra commented 7 years ago

Note that this is just a temporary solution and that setup.cfg files should be replaced by something more robust in future. See #234

HenriqueCSJ commented 7 years ago

Here we go.

In file included from /usr/lib64/python2.7/site-packages/numpy/core/include/numpy/ndarraytypes.h:1777:0,
                 from /usr/lib64/python2.7/site-packages/numpy/core/include/numpy/ndarrayobject.h:18,
                 from /usr/lib64/python2.7/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from horton/meanfield/cext.cpp:449:
/usr/lib64/python2.7/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: #warning "Using deprecated NumPy API, disable it by " "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it by " \
  ^~~~~~~
horton/meanfield/cext.cpp: In function ‘PyObject* __pyx_pf_6horton_9meanfield_4cext_12LibXCWrapper_4refs___get__(__pyx_obj_6horton_9meanfield_4cext_LibXCWrapper*)’:
horton/meanfield/cext.cpp:2088:74: error: cannot convert ‘func_reference_type* const*’ to ‘const char*’ for argument ‘1’ to ‘PyObject* PyString_FromString(const char*)’
   __pyx_t_1 = __Pyx_PyBytes_FromString((__pyx_v_self->_func.info[0]).refs); if (unlikely(!__pyx_t_1)) __PYX_ERR(0, 104, __pyx_L1_error)
                                                                          ^
error: command 'gcc' failed with exit status 1
tovrstra commented 7 years ago

Fedora 25 only has packages for LibXC 3.0, which is not compatible with LibXC 2.x. Can you try to compile the 2.2.2 version in the HORTON source tree by running the script

./tools/qa/install_libxc-2.2.2.sh

If this works, I'll update the install docs. It is currently not mentioned.

HenriqueCSJ commented 7 years ago

Sorry for my delay. I'll give it a try ASAP.

tovrstra commented 7 years ago

Ping. Any news?

tovrstra commented 7 years ago

I could test it myself in the meantime and I get exactly the same error on Fedora 25 when trying to build against the LibXC version that is shipped with Fedora. I'll also test with Fedora 26 beta, probably has the same issue. This should at least be documented. Eventually we'll use the newer LibXC in HORTON but not for the next release.

tovrstra commented 7 years ago

See also #224.