2023-02-01T11:59:20,860 Created temporary directory: /tmp/pip-ephem-wheel-cache-7jz_s4mc 2023-02-01T11:59:20,862 Created temporary directory: /tmp/pip-build-tracker-_ac7vcj2 2023-02-01T11:59:20,862 Initialized build tracking at /tmp/pip-build-tracker-_ac7vcj2 2023-02-01T11:59:20,862 Created build tracker: /tmp/pip-build-tracker-_ac7vcj2 2023-02-01T11:59:20,862 Entered build tracker: /tmp/pip-build-tracker-_ac7vcj2 2023-02-01T11:59:20,863 Created temporary directory: /tmp/pip-wheel-5im9bfri 2023-02-01T11:59:20,866 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2023-02-01T11:59:20,868 Created temporary directory: /tmp/pip-ephem-wheel-cache-5hycfjcg 2023-02-01T11:59:20,891 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-02-01T11:59:20,895 2 location(s) to search for versions of annopro: 2023-02-01T11:59:20,895 * https://pypi.org/simple/annopro/ 2023-02-01T11:59:20,895 * https://www.piwheels.org/simple/annopro/ 2023-02-01T11:59:20,895 Fetching project page and analyzing links: https://pypi.org/simple/annopro/ 2023-02-01T11:59:20,896 Getting page https://pypi.org/simple/annopro/ 2023-02-01T11:59:20,897 Found index url https://pypi.org/simple 2023-02-01T11:59:20,949 Fetched page https://pypi.org/simple/annopro/ as application/vnd.pypi.simple.v1+json 2023-02-01T11:59:20,952 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/3d/75/f194084c4aaad91f0bcf96a2269da971482f5a5fb6f98b09ce7bc2985c92/annopro-0.1rc1-cp38-cp38-macosx_10_15_x86_64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,952 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/c1/b3/3f548239113c93770bc8687647fc252bd601c440ac05d552fb35ea222b73/annopro-0.1rc1-cp38-cp38-manylinux_2_27_x86_64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,952 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/ef/24/aba9181d380a14a68852a22230b58512dfaee689736b70fa9378bab8fd1e/annopro-0.1rc1-cp38-cp38-win_amd64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,952 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/b0/a2/df42e1c1f9c10816556ec3f3bccc506329fce359dd0e1a483aeaad62740f/annopro-0.1rc1-cp39-cp39-macosx_11_0_x86_64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,953 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/f1/f7/86e770a000d594f6b1a3223e6ef6f1eeade8be56cc8407845b00700c9804/annopro-0.1rc1-cp39-cp39-manylinux_2_27_x86_64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,953 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/e4/f6/2436ba87345df118843b8f472c200d25b239ee658f7dd365f2e2662f05b1/annopro-0.1rc1-cp39-cp39-win_amd64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,953 Found link https://files.pythonhosted.org/packages/59/c5/9d6191cd5055b95616bec69fc1d6a32f20808468e3f6eaaeb62b0ac63a02/annopro-0.1rc1.tar.gz (from https://pypi.org/simple/annopro/) (requires-python:>=3.8), version: 0.1rc1 2023-02-01T11:59:20,954 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/a3/e6/4af3892c27532ec0fb1e53d3e8c2ba6093a006f560705b9fbb8bc18d54c5/annopro-0.1rc2-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,954 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/f8/69/cc8edbf577e6039159e11427e77263db0da26b24e378c8c381e959b3008e/annopro-0.1rc2-cp38-cp38-win_amd64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,954 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/d6/a6/11c5c25037c3a03f4656bf1195bd443b8888dbc16c5bb28745434cf317a8/annopro-0.1rc2-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,954 Skipping link: No binaries permitted for annopro: https://files.pythonhosted.org/packages/86/36/fa45ece0d452e7bf714eddcf8c3b1e92c543c654b0a8e3f750c8a0523864/annopro-0.1rc2-cp39-cp39-win_amd64.whl (from https://pypi.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:20,955 Found link https://files.pythonhosted.org/packages/1d/92/7e62fbc6fd01ec9774e081c1c6fedef565ea78aec258a29f7cf4369e73ab/annopro-0.1rc2.tar.gz (from https://pypi.org/simple/annopro/) (requires-python:>=3.8), version: 0.1rc2 2023-02-01T11:59:20,955 Fetching project page and analyzing links: https://www.piwheels.org/simple/annopro/ 2023-02-01T11:59:20,956 Getting page https://www.piwheels.org/simple/annopro/ 2023-02-01T11:59:20,957 Found index url https://www.piwheels.org/simple 2023-02-01T11:59:21,119 Fetched page https://www.piwheels.org/simple/annopro/ as text/html 2023-02-01T11:59:21,121 Skipping link: No binaries permitted for annopro: https://www.piwheels.org/simple/annopro/annopro-0.1rc1-cp39-cp39-linux_armv7l.whl#sha256=5fab3a61324c14afe2d5622c50d85dcf60758f72748b47e3c78b099d00977d89 (from https://www.piwheels.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:21,121 Skipping link: No binaries permitted for annopro: https://www.piwheels.org/simple/annopro/annopro-0.1rc1-cp39-cp39-linux_armv6l.whl#sha256=5fab3a61324c14afe2d5622c50d85dcf60758f72748b47e3c78b099d00977d89 (from https://www.piwheels.org/simple/annopro/) (requires-python:>=3.8) 2023-02-01T11:59:21,121 Skipping link: not a file: https://www.piwheels.org/simple/annopro/ 2023-02-01T11:59:21,122 Skipping link: not a file: https://pypi.org/simple/annopro/ 2023-02-01T11:59:21,140 Given no hashes to check 1 links for project 'annopro': discarding no candidates 2023-02-01T11:59:21,157 Collecting annopro==0.1rc2 2023-02-01T11:59:21,159 Created temporary directory: /tmp/pip-unpack-lxdcxxc3 2023-02-01T11:59:21,340 Downloading annopro-0.1rc2.tar.gz (187 kB) 2023-02-01T11:59:21,602 Added annopro==0.1rc2 from https://files.pythonhosted.org/packages/1d/92/7e62fbc6fd01ec9774e081c1c6fedef565ea78aec258a29f7cf4369e73ab/annopro-0.1rc2.tar.gz to build tracker '/tmp/pip-build-tracker-_ac7vcj2' 2023-02-01T11:59:21,609 Created temporary directory: /tmp/pip-build-env-68wpvors 2023-02-01T11:59:21,616 Installing build dependencies: started 2023-02-01T11:59:21,617 Running command pip subprocess to install build dependencies 2023-02-01T11:59:22,862 Using pip 22.3 from /usr/local/lib/python3.9/dist-packages/pip (python 3.9) 2023-02-01T11:59:23,285 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2023-02-01T11:59:23,310 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-02-01T11:59:24,970 Collecting setuptools>=42 2023-02-01T11:59:25,078 Using cached https://www.piwheels.org/simple/setuptools/setuptools-67.0.0-py3-none-any.whl (1.1 MB) 2023-02-01T11:59:26,314 Collecting numpy<=1.19.5 2023-02-01T11:59:27,362 Using cached https://www.piwheels.org/simple/numpy/numpy-1.19.5-cp39-cp39-linux_armv7l.whl (10.5 MB) 2023-02-01T11:59:27,942 Collecting versioneer[toml] 2023-02-01T11:59:28,126 Using cached https://www.piwheels.org/simple/versioneer/versioneer-0.28-py3-none-any.whl (45 kB) 2023-02-01T11:59:28,325 Collecting tomli 2023-02-01T11:59:28,341 Using cached https://www.piwheels.org/simple/tomli/tomli-2.0.1-py3-none-any.whl (12 kB) 2023-02-01T11:59:30,773 Installing collected packages: versioneer, tomli, setuptools, numpy 2023-02-01T11:59:30,812 Creating /tmp/pip-build-env-68wpvors/overlay/bin 2023-02-01T11:59:30,814 changing mode of /tmp/pip-build-env-68wpvors/overlay/bin/versioneer to 755 2023-02-01T11:59:39,846 changing mode of /tmp/pip-build-env-68wpvors/overlay/bin/f2py to 755 2023-02-01T11:59:39,859 changing mode of /tmp/pip-build-env-68wpvors/overlay/bin/f2py3 to 755 2023-02-01T11:59:39,861 changing mode of /tmp/pip-build-env-68wpvors/overlay/bin/f2py3.9 to 755 2023-02-01T11:59:39,891 Successfully installed numpy-1.19.5 setuptools-67.0.0 tomli-2.0.1 versioneer-0.28 2023-02-01T11:59:39,907 [notice] A new release of pip available: 22.3 -> 23.0 2023-02-01T11:59:39,907 [notice] To update, run: python3 -m pip install --upgrade pip 2023-02-01T11:59:40,227 Installing build dependencies: finished with status 'done' 2023-02-01T11:59:40,233 Getting requirements to build wheel: started 2023-02-01T11:59:40,234 Running command Getting requirements to build wheel 2023-02-01T11:59:41,945 running egg_info 2023-02-01T11:59:41,945 running build_src 2023-02-01T11:59:41,946 build_src 2023-02-01T11:59:41,946 building extension "annopro.data_procession._libprofeat" sources 2023-02-01T11:59:41,946 f2py options: [] 2023-02-01T11:59:41,946 f2py:> build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeatmodule.c 2023-02-01T11:59:41,947 creating build 2023-02-01T11:59:41,947 creating build/src.linux-armv7l-3.9 2023-02-01T11:59:41,948 creating build/src.linux-armv7l-3.9/annopro 2023-02-01T11:59:41,948 creating build/src.linux-armv7l-3.9/annopro/data_procession 2023-02-01T11:59:42,093 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,113 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,121 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,130 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,137 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,139 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,142 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,145 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,148 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,151 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,154 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,158 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,164 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,183 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,189 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,194 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,199 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,201 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,219 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,241 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,263 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,266 updatevars: "character namenew(100)*80" is mapped to "character namenew(100,80)" 2023-02-01T11:59:42,288 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,297 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,300 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,302 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,332 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,340 Reading fortran codes... 2023-02-01T11:59:42,341 Reading file './annopro/data_procession/_libprofeat.f' (format:fix,strict) 2023-02-01T11:59:42,341 Line #1219 in ./annopro/data_procession/_libprofeat.f:" data (idnew(1,i),i=1,20)/1,2,1,2,3,1,1,3,2,3,3,1,3,1,1,2,2,3,3,3/" 2023-02-01T11:59:42,341 analyzeline: implied-DO list "(idnew(1,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,341 Line #1222 in ./annopro/data_procession/_libprofeat.f:" data (idnew(2,i),i=1,20)/1,2,2,2,3,1,2,2,2,2,2,2,2,2,3,1,2,2,3,3/" 2023-02-01T11:59:42,341 analyzeline: implied-DO list "(idnew(2,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,341 Line #1225 in ./annopro/data_procession/_libprofeat.f:" data (idnew(3,i),i=1,20)/1,1,3,2,2,1,2,2,1,2,2,2,2,2,1,2,1,2,2,3/" 2023-02-01T11:59:42,341 analyzeline: implied-DO list "(idnew(3,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,341 Line #1228 in ./annopro/data_procession/_libprofeat.f:" data (idnew(4,i),i=1,20)/3,3,2,2,3,3,1,3,1,3,3,1,3,1,1,2,2,3,2,2/" 2023-02-01T11:59:42,342 analyzeline: implied-DO list "(idnew(4,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,342 Line #1231 in ./annopro/data_procession/_libprofeat.f:" data (idnew(5,i),i=1,20)/3,3,1,1,3,3,1,3,2,3,3,1,3,1,1,2,2,3,2,2/" 2023-02-01T11:59:42,342 analyzeline: implied-DO list "(idnew(5,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,342 Line #1234 in ./annopro/data_procession/_libprofeat.f:" data (idnew(6,i),i=1,20)/2,2,1,1,3,2,1,3,1,3,3,1,2,1,1,2,2,2,3,2/" 2023-02-01T11:59:42,342 analyzeline: implied-DO list "(idnew(6,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,342 Line #1237 in ./annopro/data_procession/_libprofeat.f:" data (idnew(7,i),i=1,20)/2,3,2,1,3,1,2,2,1,3,3,1,2,1,2,1,2,2,3,3/" 2023-02-01T11:59:42,342 analyzeline: implied-DO list "(idnew(7,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,342 Line #1240 in ./annopro/data_procession/_libprofeat.f:" data (idnew(8,i),i=1,20)/2,3,1,2,2,2,1,1,1,3,2,1,1,2,1,2,2,3,1,1/" 2023-02-01T11:59:42,342 analyzeline: implied-DO list "(idnew(8,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,343 Line #1243 in ./annopro/data_procession/_libprofeat.f:" data (idnew(9,i),i=1,20)/2,1,1,3,1,2,2,3,3,2,1,2,1,1,1,2,2,2,1,1/" 2023-02-01T11:59:42,343 analyzeline: implied-DO list "(idnew(9,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,343 Line #1246 in ./annopro/data_procession/_libprofeat.f:" data (idnew(10,i),i=1,20)/2,3,2,2,2,1,2,2,1,2,3,1,3,1,1,1,1,2,2,1/" 2023-02-01T11:59:42,343 analyzeline: implied-DO list "(idnew(10,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,343 Line #1249 in ./annopro/data_procession/_libprofeat.f:" data (idnew(11,i),i=1,20)/2,3,2,2,2,1,1,2,1,3,3,1,2,1,1,1,1,2,2,1/" 2023-02-01T11:59:42,343 analyzeline: implied-DO list "(idnew(11,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,343 Line #1252 in ./annopro/data_procession/_libprofeat.f:" data (idnew(12,i),i=1,20)/3,3,3,3,2,2,1,2,1,2,1,2,2,2,1,2,3,2,2,1/" 2023-02-01T11:59:42,343 analyzeline: implied-DO list "(idnew(12,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,343 Line #1255 in ./annopro/data_procession/_libprofeat.f:" data (idnew(13,i),i=1,20)/2,3,3,3,2,1,1,2,1,3,1,2,2,2,1,1,2,3,1,1/" 2023-02-01T11:59:42,344 analyzeline: implied-DO list "(idnew(13,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,344 Line #1258 in ./annopro/data_procession/_libprofeat.f:" data (idnew(14,i),i=1,20)/2,3,2,2,2,2,1,3,1,2,1,2,2,1,1,1,3,2,3,2/" 2023-02-01T11:59:42,344 analyzeline: implied-DO list "(idnew(14,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,344 Line #1261 in ./annopro/data_procession/_libprofeat.f:" data (idnew(15,i),i=1,20)/3,1,3,3,1,2,1,2,3,2,2,2,3,3,2,2,2,3,1,1/" 2023-02-01T11:59:42,344 analyzeline: implied-DO list "(idnew(15,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,344 Line #1264 in ./annopro/data_procession/_libprofeat.f:" data (idnew(16,i),i=1,20)/3,1,2,3,1,2,1,2,3,2,1,2,3,3,3,2,2,2,1,1/" 2023-02-01T11:59:42,344 analyzeline: implied-DO list "(idnew(16,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,344 Line #1268 in ./annopro/data_procession/_libprofeat.f:" data (idnew(17,i),i=1,20)/3,2,1,1,2,3,1,3,2,3,2,2,3,2,1,2,2,3,2,1/" 2023-02-01T11:59:42,344 analyzeline: implied-DO list "(idnew(17,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,345 Line #1648 in ./annopro/data_procession/_libprofeat.f:" data (xsw(1,i),i=1,20)/ 0.000,0.112,0.819,0.827,0.540,0.208,0.696, 0.407,0.891,0.406,0.379,0.318,0.191,0.372, 1.000,0.094,0.220,0.273,0.739,0.552/" 2023-02-01T11:59:42,345 analyzeline: implied-DO list "(xsw(1,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,345 Line #1652 in ./annopro/data_procession/_libprofeat.f:" data (xsw(2,i),i=1,20)/ 0.114,0.000,0.847,0.838,0.437,0.320,0.660, 0.304,0.887,0.301,0.277,0.324,0.157,0.341, 1.000,0.176,0.233,0.167,0.639,0.457/" 2023-02-01T11:59:42,345 analyzeline: implied-DO list "(xsw(2,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,345 Line #1656 in ./annopro/data_procession/_libprofeat.f:" data (xsw(3,i),i=1,20)/ 0.729,0.742,0.000,0.124,0.924,0.697,0.435, 0.847,0.249,0.841,0.819,0.560,0.657,0.584, 0.295,0.667,0.649,0.797,1.000,0.836/" 2023-02-01T11:59:42,345 analyzeline: implied-DO list "(xsw(3,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,345 Line #1660 in ./annopro/data_procession/_libprofeat.f:" data (xsw(4,i),i=1,20)/ 0.790,0.788,0.133,0.000,0.932,0.779,0.406, 0.860,0.143,0.854,0.830,0.599,0.688,0.598, 0.234,0.726,0.682,0.824,1.000,0.837/" 2023-02-01T11:59:42,345 analyzeline: implied-DO list "(xsw(4,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,346 Line #1664 in ./annopro/data_procession/_libprofeat.f:" data (xsw(5,i),i=1,20)/ 0.508,0.405,0.977,0.918,0.000,0.690,0.663, 0.128,0.903,0.131,0.169,0.541,0.420,0.459, 1.000,0.548,0.499,0.252,0.207,0.179/" 2023-02-01T11:59:42,346 analyzeline: implied-DO list "(xsw(5,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,346 Line #1668 in ./annopro/data_procession/_libprofeat.f:" data (xsw(6,i),i=1,20)/ 0.206,0.312,0.776,0.807,0.727,0.000,0.769, 0.592,0.894,0.591,0.557,0.381,0.323,0.467, 1.000,0.158,0.272,0.464,0.923,0.728/" 2023-02-01T11:59:42,346 analyzeline: implied-DO list "(xsw(6,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,346 Line #1672 in ./annopro/data_procession/_libprofeat.f:" data (xsw(7,i),i=1,20)/ 0.896,0.836,0.629,0.547,0.907,1.000,0.000, 0.848,0.566,0.842,0.825,0.754,0.777,0.716, 0.697,0.865,0.834,0.831,0.981,0.821/" 2023-02-01T11:59:42,346 analyzeline: implied-DO list "(xsw(7,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,346 Line #1676 in ./annopro/data_procession/_libprofeat.f:" data (xsw(8,i),i=1,20)/ 0.403,0.296,0.942,0.891,0.134,0.592,0.652, 0.000,0.892,0.013,0.057,0.457,0.311,0.383, 1.000,0.443,0.396,0.133,0.339,0.213/" 2023-02-01T11:59:42,346 analyzeline: implied-DO list "(xsw(8,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,346 Line #1680 in ./annopro/data_procession/_libprofeat.f:" data (xsw(9,i),i=1,20)/ 0.889,0.871,0.279,0.149,0.957,0.900,0.438, 0.899,0.000,0.892,0.871,0.667,0.757,0.639, 0.154,0.825,0.759,0.882,1.000,0.848/" 2023-02-01T11:59:42,347 analyzeline: implied-DO list "(xsw(9,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,347 Line #1684 in ./annopro/data_procession/_libprofeat.f:" data (xsw(10,i),i=1,20)/ 0.405,0.296,0.944,0.892,0.139,0.596,0.653, 0.013,0.893,0.000,0.062,0.452,0.309,0.376, 1.000,0.443,0.397,0.133,0.341,0.205/" 2023-02-01T11:59:42,347 analyzeline: implied-DO list "(xsw(10,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,347 Line #1688 in ./annopro/data_procession/_libprofeat.f:" data (xsw(11,i),i=1,20)/ 0.383,0.276,0.932,0.879,0.182,0.569,0.648, 0.058,0.884,0.062,0.000,0.447,0.285,0.372, 1.000,0.417,0.358,0.120,0.391,0.255/" 2023-02-01T11:59:42,347 analyzeline: implied-DO list "(xsw(11,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,347 Line #1692 in ./annopro/data_procession/_libprofeat.f:" data (xsw(12,i),i=1,20)/ 0.424,0.425,0.838,0.835,0.766,0.512,0.780, 0.615,0.891,0.603,0.588,0.000,0.266,0.175, 1.000,0.361,0.368,0.503,0.945,0.641/" 2023-02-01T11:59:42,347 analyzeline: implied-DO list "(xsw(12,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,347 Line #1696 in ./annopro/data_procession/_libprofeat.f:" data (xsw(13,i),i=1,20)/ 0.220,0.179,0.852,0.831,0.515,0.376,0.695, 0.363,0.875,0.357,0.326,0.231,0.000,0.228, 1.000,0.196,0.161,0.244,0.720,0.481/" 2023-02-01T11:59:42,348 analyzeline: implied-DO list "(xsw(13,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,348 Line #1700 in ./annopro/data_procession/_libprofeat.f:" data (xsw(14,i),i=1,20)/ 0.512,0.462,0.903,0.861,0.671,0.648,0.765, 0.532,0.881,0.518,0.505,0.181,0.272,0.000, 1.000,0.461,0.389,0.464,0.831,0.522/" 2023-02-01T11:59:42,348 analyzeline: implied-DO list "(xsw(14,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,348 Line #1704 in ./annopro/data_procession/_libprofeat.f:" data (xsw(15,i),i=1,20)/ 0.919,0.905,0.305,0.225,0.977,0.928,0.498, 0.929,0.141,0.920,0.908,0.690,0.796,0.668, 0.000,0.860,0.808,0.914,1.000,0.859/" 2023-02-01T11:59:42,348 analyzeline: implied-DO list "(xsw(15,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:42,348 Line #1708 in ./annopro/data_procession/_libprofeat.f:" data (xsw(16,i),i=1,20)/ 0.100,0.185,0.801,0.812,0.622,0.170,0.718, 0.478,0.883,0.474,0.440,0.289,0.181,0.358, 1.000,0.000,0.174,0.342,0.827,0.615/" 2023-02-01T11:59:42,364 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,397 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,423 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,469 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,484 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,496 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,510 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,516 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,518 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,520 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:42,693 updatevars: "character name(natom)*2" is mapped to "character name(natom,2)" 2023-02-01T11:59:42,693 updatevars: "character hybrid(natom)*3" is mapped to "character hybrid(natom,3)" 2023-02-01T11:59:43,015 updatevars: "character element(100)*2" is mapped to "character element(100,2)" 2023-02-01T11:59:43,016 updatevars: "character element1(100)*2" is mapped to "character element1(100,2)" 2023-02-01T11:59:43,016 analyzeline: implied-DO list "(xsw(16,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:43,016 Line #1712 in ./annopro/data_procession/_libprofeat.f:" data (xsw(17,i),i=1,20)/ 0.251,0.261,0.830,0.812,0.604,0.312,0.737, 0.455,0.866,0.453,0.403,0.315,0.159,0.322, 1.000,0.185,0.000,0.345,0.816,0.596/" 2023-02-01T11:59:43,017 analyzeline: implied-DO list "(xsw(17,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:43,017 Line #1716 in ./annopro/data_procession/_libprofeat.f:" data (xsw(18,i),i=1,20)/ 0.275,0.165,0.900,0.867,0.269,0.471,0.649, 0.135,0.889,0.134,0.120,0.380,0.212,0.339, 1.000,0.322,0.305,0.000,0.472,0.310/" 2023-02-01T11:59:43,017 analyzeline: implied-DO list "(xsw(18,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:43,017 Line #1720 in ./annopro/data_procession/_libprofeat.f:" data (xsw(19,i),i=1,20)/ 0.658,0.560,1.000,0.931,0.196,0.829,0.678, 0.305,0.892,0.304,0.344,0.631,0.555,0.538, 0.968,0.689,0.638,0.418,0.000,0.204/" 2023-02-01T11:59:43,017 analyzeline: implied-DO list "(xsw(19,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:43,017 Line #1725 in ./annopro/data_procession/_libprofeat.f:" data (xsw(20,i),i=1,20)/ 0.587,0.478,1.000,0.932,0.202,0.782,0.678, 0.230,0.904,0.219,0.268,0.512,0.444,0.404, 0.995,0.612,0.557,0.328,0.244,0.000/" 2023-02-01T11:59:43,017 analyzeline: implied-DO list "(xsw(20,i),i=1,20)" is not supported. Skipping. 2023-02-01T11:59:43,017 Line #1727 in ./annopro/data_procession/_libprofeat.f:" data (xgr(3,i),i=1,2) /111.0, 86.0/" 2023-02-01T11:59:43,017 analyzeline: implied-DO list "(xgr(3,i),i=1,2)" is not supported. Skipping. 2023-02-01T11:59:43,018 Line #1728 in ./annopro/data_procession/_libprofeat.f:" data (xgr(4,i),i=1,3) /126.0, 96.0, 23.0/" 2023-02-01T11:59:43,018 analyzeline: implied-DO list "(xgr(4,i),i=1,3)" is not supported. Skipping. 2023-02-01T11:59:43,018 Line #1729 in ./annopro/data_procession/_libprofeat.f:" data (xgr(5,i),i=1,4) /195.0,180.0,139.0,154.0/" 2023-02-01T11:59:43,018 analyzeline: implied-DO list "(xgr(5,i),i=1,4)" is not supported. Skipping. 2023-02-01T11:59:43,018 Line #1730 in ./annopro/data_procession/_libprofeat.f:" data (xgr(6,i),i=1,5) / 91.0, 43.0, 46.0, 61.0,154.0/" 2023-02-01T11:59:43,018 analyzeline: implied-DO list "(xgr(6,i),i=1,5)" is not supported. Skipping. 2023-02-01T11:59:43,018 Line #1732 in ./annopro/data_procession/_libprofeat.f:" data (xgr(7,i),i=1,6) /107.0, 54.0, 42.0, 45.0,170.0, 29.0/" 2023-02-01T11:59:43,018 analyzeline: implied-DO list "(xgr(7,i),i=1,6)" is not supported. Skipping. 2023-02-01T11:59:43,018 Line #1734 in ./annopro/data_procession/_libprofeat.f:" data (xgr(8,i),i=1,7) / 60.0,125.0, 80.0, 94.0,159.0, 87.0, 98.0/" 2023-02-01T11:59:43,019 analyzeline: implied-DO list "(xgr(8,i),i=1,7)" is not supported. Skipping. 2023-02-01T11:59:43,019 Line #1736 in ./annopro/data_procession/_libprofeat.f:" data (xgr(9,i),i=1,8) / 86.0, 29.0, 68.0, 81.0,174.0, 24.0, 40.0, 98.0/" 2023-02-01T11:59:43,019 analyzeline: implied-DO list "(xgr(9,i),i=1,8)" is not supported. Skipping. 2023-02-01T11:59:43,019 Line #1738 in ./annopro/data_procession/_libprofeat.f:" data (xgr(10,i),i=1,9) / 94.0, 97.0,149.0,168.0,198.0, 109.0,134.0,135.0, 94.0/" 2023-02-01T11:59:43,019 analyzeline: implied-DO list "(xgr(10,i),i=1,9)" is not supported. Skipping. 2023-02-01T11:59:43,019 Line #1740 in ./annopro/data_procession/_libprofeat.f:" data (xgr(11,i),i=1,10)/ 96.0,102.0,153.0,172.0,198.0, 113.0,138.0,138.0, 99.0, 5.0/" 2023-02-01T11:59:43,019 analyzeline: implied-DO list "(xgr(11,i),i=1,10)" is not supported. Skipping. 2023-02-01T11:59:43,019 Line #1742 in ./annopro/data_procession/_libprofeat.f:" data (xgr(12,i),i=1,11)/106.0, 26.0, 94.0,101.0,202.0, 53.0, 56.0,127.0, 32.0,102.0,107.0/" 2023-02-01T11:59:43,019 analyzeline: implied-DO list "(xgr(12,i),i=1,11)" is not supported. Skipping. 2023-02-01T11:59:43,020 Line #1744 in ./annopro/data_procession/_libprofeat.f:" data (xgr(13,i),i=1,12)/ 84.0, 91.0,142.0,160.0,196.0, 101.0,126.0,127.0, 87.0, 10.0, 15.0, 95.0/" 2023-02-01T11:59:43,020 analyzeline: implied-DO list "(xgr(13,i),i=1,12)" is not supported. Skipping. 2023-02-01T11:59:43,020 Line #1746 in ./annopro/data_procession/_libprofeat.f:" data (xgr(14,i),i=1,13)/113.0, 97.0,158.0,177.0,205.0, 116.0,140.0,153.0,100.0, 21.0, 22.0,102.0, 28.0/" 2023-02-01T11:59:43,020 analyzeline: implied-DO list "(xgr(14,i),i=1,13)" is not supported. Skipping. 2023-02-01T11:59:43,020 Line #1749 in ./annopro/data_procession/_libprofeat.f:" data (xgr(15,i),i=1,14)/ 27.0,103.0, 91.0,108.0,169.0, 76.0, 93.0, 42.0, 77.0, 95.0, 98.0,103.0, 87.0, 114.0/" 2023-02-01T11:59:43,020 analyzeline: implied-DO list "(xgr(15,i),i=1,14)" is not supported. Skipping. 2023-02-01T11:59:43,020 Line #1752 in ./annopro/data_procession/_libprofeat.f:" data (xgr(16,i),i=1,15)/ 99.0,110.0, 46.0, 65.0,112.0, 68.0, 80.0, 56.0, 89.0,142.0,145.0,121.0,135.0, 155.0, 74.0/" 2023-02-01T11:59:43,020 analyzeline: implied-DO list "(xgr(16,i),i=1,15)" is not supported. Skipping. 2023-02-01T11:59:43,020 Line #1755 in ./annopro/data_procession/_libprofeat.f:" data (xgr(17,i),i=1,16)/ 58.0, 71.0, 65.0, 85.0,149.0, 42.0, 65.0, 59.0, 47.0, 89.0, 92.0, 78.0, 81.0, 103.0, 38.0, 58.0/" 2023-02-01T11:59:43,021 analyzeline: implied-DO list "(xgr(17,i),i=1,16)" is not supported. Skipping. 2023-02-01T11:59:43,021 Line #1758 in ./annopro/data_procession/_libprofeat.f:" data (xgr(18,i),i=1,17)/148.0,101.0,174.0,181.0,215.0, 130.0,152.0,184.0,115.0, 61.0, 61.0,110.0, 67.0, 40.0,147.0,177.0,128.0/" 2023-02-01T11:59:43,021 analyzeline: implied-DO list "(xgr(18,i),i=1,17)" is not supported. Skipping. 2023-02-01T11:59:43,021 Line #1761 in ./annopro/data_procession/_libprofeat.f:" data (xgr(19,i),i=1,18)/112.0, 77.0,143.0,160.0,194.0, 99.0,122.0,147.0, 83.0, 33.0, 36.0, 85.0, 36.0, 22.0,110.0,144.0, 92.0, 37.0/" 2023-02-01T11:59:43,021 analyzeline: implied-DO list "(xgr(19,i),i=1,18)" is not supported. Skipping. 2023-02-01T11:59:43,021 Line #1765 in ./annopro/data_procession/_libprofeat.f:" data (xgr(20,i),i=1,19)/ 64.0, 96.0,133.0,152.0,192.0, 96.0,121.0,109.0, 84.0, 29.0, 32.0, 97.0, 21.0, 50.0, 68.0,124.0, 69.0, 88.0, 55.0/" 2023-02-01T11:59:43,021 analyzeline: implied-DO list "(xgr(20,i),i=1,19)" is not supported. Skipping. 2023-02-01T11:59:43,021 Line #4357 in ./annopro/data_procession/_libprofeat.f:" data(nb(i),i=1,19)/ 1,5,6,7,8,9,13,14,15,16,17,26, 27,28,29,30,35,50,53/" 2023-02-01T11:59:43,021 analyzeline: implied-DO list "(nb(i),i=1,19)" is not supported. Skipping. 2023-02-01T11:59:43,022 Line #4363 in ./annopro/data_procession/_libprofeat.f:" data(v(i),i=1,19)/0.299,0.796,1.000,0.695,0.512, 0.410,1.626,1.424,1.181,1.088,1.035,1.829,1.561, 0.764,0.512,1.708,1.384,2.042,1.728/" 2023-02-01T11:59:43,022 analyzeline: implied-DO list "(v(i),i=1,19)" is not supported. Skipping. 2023-02-01T11:59:43,022 Line #4369 in ./annopro/data_procession/_libprofeat.f:" data(en(i),i=1,19)/0.944,0.828,1.000,1.163,1.331, 1.457,0.624,0.779,0.916,1.077,1.265,0.728,0.728, 0.728,0.740,0.810,1.172,0.837,1.012/" 2023-02-01T11:59:43,022 analyzeline: implied-DO list "(en(i),i=1,19)" is not supported. Skipping. 2023-02-01T11:59:43,022 Line #4372 in ./annopro/data_procession/_libprofeat.f:" data(a(i),i=1,19)/0.379,1.722,1.000,0.625,0.456, 0.316,3.864,3.057,2.063,1.648,1.239,4.773,4.261, 3.864,3.466,4.034,1.733,4.375,3.040/" 2023-02-01T11:59:43,022 analyzeline: implied-DO list "(a(i),i=1,19)" is not supported. Skipping. 2023-02-01T11:59:43,022 Line #4856 in ./annopro/data_procession/_libprofeat.f:" data (atw(i),i=1,53)/ 1.0079, 4.0026, 6.9410, 9.0122,10.8110,12.0107,14.0067 ,15.9994,18.9984,20.1797,22.9898,24.3050,26.9815,28.0855 ,30.9738,32.0660,35.4527,39.9480,39.0983,40.0780,44.9559 ,47.8670,50.9415,51.9961,54.9380,55.8457,58.9332,58.6934 ,63.5460,65.3900,69.7230,72.6100,74.9216,78.9600,79.9040 ,83.8000,85.4678,87.6200,88.9058,91.2240,92.9064,95.9400 ,98.0000,101.070,102.905,106.420,107.868,112.411,114.810 ,118.710,121.760,127.600,126.904/" 2023-02-01T11:59:43,022 analyzeline: implied-DO list "(atw(i),i=1,53)" is not supported. Skipping. 2023-02-01T11:59:43,022 Line #4864 in ./annopro/data_procession/_libprofeat.f:" data (atw(i),i=54,100)/ 131.290,132.905,137.327,139.905,140.116,140.908,144.240 ,145.000,150.360,151.964,157.250,158.925,162.500,164.930 ,167.260,168.934,173.040,174.967,178.490,180.948,183.840 ,186.207,190.230,192.217,195.078,196.966,200.590,204.383 ,207.200,208.980,209.000,210.000,222.000,223.000,226.000 ,227.000,232.038,231.036,238.029,237.000,244.000,243.000 ,247.000,247.000,251.000,252.000,257.000/" 2023-02-01T11:59:43,023 analyzeline: implied-DO list "(atw(i),i=54,100)" is not supported. Skipping. 2023-02-01T11:59:43,023 Line #5502 in ./annopro/data_procession/_libprofeat.f:" data (element(i),i=1,50)/ ' H','HE','LI','BE',' B',' C',' N',' O',' F','NE', 'NA','Mg','Al','SI',' P',' S','CL','AR',' K','CA', 'SC','TI',' V','CR','MN','FE','CO','NI','CU','ZN', 'GA','GE','AS','SE','BR','KR','RB','SR',' Y','ZR', 'NB','MO','TC','RU','RH','PD','AG','CD','IN','SN'/" 2023-02-01T11:59:43,023 analyzeline: implied-DO list "(element(i),i=1,50)" is not supported. Skipping. 2023-02-01T11:59:43,240 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,404 updatevars: "character hybrid(natom)*3" is mapped to "character hybrid(natom,3)" 2023-02-01T11:59:43,711 updatevars: "character name(natom)*2" is mapped to "character name(natom,2)" 2023-02-01T11:59:43,720 updatevars: "character name(natom)*2" is mapped to "character name(natom,2)" 2023-02-01T11:59:43,728 updatevars: "character name(natom)*2" is mapped to "character name(natom,2)" 2023-02-01T11:59:43,881 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,917 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,922 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,925 Line #5509 in ./annopro/data_procession/_libprofeat.f:" data (element(i),i=51,100)/ 'SB','TE',' I','XE','CS','BA','LA','CE','PR','ND', 'PM','SM','EU','GD','TB','DY','HO','ER','TM','YB', 'LU','HF','TA',' W','RE','OS','IR','PT','AU','HG', 'TL','PB','BI','PO','AT','RN','FR','RA','AC','TH', 'PA',' U','NP','PU','AM','CM','BK','CF','ES','FM'/" 2023-02-01T11:59:43,926 analyzeline: implied-DO list "(element(i),i=51,100)" is not supported. Skipping. 2023-02-01T11:59:43,926 Line #5515 in ./annopro/data_procession/_libprofeat.f:" data (element1(i),i=1,50)/ 'H ','HE','LI','BE','B ','C ','N ','O ','F ','NE', 'NA','Mg','Al','SI','P ','S ','CL','AR','K ','CA', 'SC','TI','V ','CR','MN','FE','CO','NI','CU','ZN', 'GA','GE','AS','SE','BR','KR','RB','SR','Y ','ZR', 'NB','MO','TC','RU','RH','PD','AG','CD','IN','SN'/" 2023-02-01T11:59:43,926 analyzeline: implied-DO list "(element1(i),i=1,50)" is not supported. Skipping. 2023-02-01T11:59:43,926 Line #5524 in ./annopro/data_procession/_libprofeat.f:" data (element1(i),i=51,100)/ 'SB','TE','I ','XE','CS','BA','LA','CE','PR','ND', 'PM','SM','EU','GD','TB','DY','HO','ER','TM','YB', 'LU','HF','TA','W ','RE','OS','IR','PT','AU','HG', 'TL','PB','BI','PO','AT','RN','FR','RA','AC','TH', 'PA','U ','NP','PU','AM','CM','BK','CF','ES','FM'/" 2023-02-01T11:59:43,926 analyzeline: implied-DO list "(element1(i),i=51,100)" is not supported. Skipping. 2023-02-01T11:59:43,926 Line #5648 in ./annopro/data_procession/_libprofeat.f:" data (rvdw(i),i=3,9) / 2.20,1.90,1.80,1.70,1.60,1.55,1.50/" 2023-02-01T11:59:43,926 analyzeline: implied-DO list "(rvdw(i),i=3,9)" is not supported. Skipping. 2023-02-01T11:59:43,926 Line #5651 in ./annopro/data_procession/_libprofeat.f:" data (rvdw(i),i=11,17)/ 2.40,2.20,2.10,2.10,1.95,1.80,1.80/" 2023-02-01T11:59:43,927 analyzeline: implied-DO list "(rvdw(i),i=11,17)" is not supported. Skipping. 2023-02-01T11:59:43,927 Line #5655 in ./annopro/data_procession/_libprofeat.f:" data (rvdw(i),i=19,35)/ 2.80,2.40,2.30,2.15,2.05,2.05,2.05,2.05,2.00,2.00, 2.00,2.10,2.10,2.10,2.05,1.90,1.90/" 2023-02-01T11:59:43,927 analyzeline: implied-DO list "(rvdw(i),i=19,35)" is not supported. Skipping. 2023-02-01T11:59:43,927 Line #5659 in ./annopro/data_procession/_libprofeat.f:" data (rvdw(i),i=37,53)/ 2.90,2.55,2.40,2.30,2.15,2.10,2.05,2.05,2.00,2.05, 2.10,2.20,2.20,2.25,2.20,2.10,2.10/" 2023-02-01T11:59:43,927 analyzeline: implied-DO list "(rvdw(i),i=37,53)" is not supported. Skipping. 2023-02-01T11:59:43,927 Line #5662 in ./annopro/data_procession/_libprofeat.f:" data (rvdw(i),i=55,56)/ 3.00,2.70/" 2023-02-01T11:59:43,927 analyzeline: implied-DO list "(rvdw(i),i=55,56)" is not supported. Skipping. 2023-02-01T11:59:43,927 Line #5670 in ./annopro/data_procession/_libprofeat.f:" data (rvdw(i),i=72,83)/ 2.25,2.20,2.10,2.05,2.00,2.00,2.05, 2.10,2.05,2.20,2.30,2.30/" 2023-02-01T11:59:43,928 analyzeline: implied-DO list "(rvdw(i),i=72,83)" is not supported. Skipping. 2023-02-01T11:59:43,928 Post-processing... 2023-02-01T11:59:43,928 Block: _libprofeat 2023-02-01T11:59:43,928 Block: run 2023-02-01T11:59:43,928 {} 2023-02-01T11:59:43,928 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:convert 2023-02-01T11:59:43,928 vars2fortran: No typespec for argument "ln". 2023-02-01T11:59:43,928 Block: convert 2023-02-01T11:59:43,929 {} 2023-02-01T11:59:43,929 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,929 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:43,929 {} 2023-02-01T11:59:43,929 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,929 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,929 {} 2023-02-01T11:59:43,929 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,929 vars2fortran: No typespec for argument "iaac". 2023-02-01T11:59:43,930 {} 2023-02-01T11:59:43,930 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,930 vars2fortran: No typespec for argument "idpc". 2023-02-01T11:59:43,930 {} 2023-02-01T11:59:43,930 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,930 vars2fortran: No typespec for argument "iatd". 2023-02-01T11:59:43,930 {} 2023-02-01T11:59:43,930 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,931 vars2fortran: No typespec for argument "nlag". 2023-02-01T11:59:43,931 {} 2023-02-01T11:59:43,931 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,931 vars2fortran: No typespec for argument "imb". 2023-02-01T11:59:43,931 {} 2023-02-01T11:59:43,931 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,931 vars2fortran: No typespec for argument "imoran". 2023-02-01T11:59:43,931 {} 2023-02-01T11:59:43,931 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,932 vars2fortran: No typespec for argument "igeary". 2023-02-01T11:59:43,932 {} 2023-02-01T11:59:43,932 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,932 vars2fortran: No typespec for argument "nid". 2023-02-01T11:59:43,932 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:43,932 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,932 vars2fortran: No typespec for argument "iad". 2023-02-01T11:59:43,932 {} 2023-02-01T11:59:43,932 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,933 vars2fortran: No typespec for argument "ictd". 2023-02-01T11:59:43,933 {} 2023-02-01T11:59:43,933 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,933 vars2fortran: No typespec for argument "iqso". 2023-02-01T11:59:43,933 {} 2023-02-01T11:59:43,933 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,933 vars2fortran: No typespec for argument "nphi". 2023-02-01T11:59:43,933 {} 2023-02-01T11:59:43,934 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,934 vars2fortran: No typespec for argument "ipaac". 2023-02-01T11:59:43,934 {} 2023-02-01T11:59:43,934 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,934 vars2fortran: No typespec for argument "w1". 2023-02-01T11:59:43,934 {} 2023-02-01T11:59:43,934 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,934 vars2fortran: No typespec for argument "lamda1". 2023-02-01T11:59:43,934 {} 2023-02-01T11:59:43,935 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,935 vars2fortran: No typespec for argument "nset1". 2023-02-01T11:59:43,935 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:43,935 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,935 vars2fortran: No typespec for argument "nacp1". 2023-02-01T11:59:43,935 {'attrspec': ['dimension(1000,30)']} 2023-02-01T11:59:43,935 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,935 vars2fortran: No typespec for argument "idacp1". 2023-02-01T11:59:43,936 {} 2023-02-01T11:59:43,936 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,936 vars2fortran: No typespec for argument "iapaac". 2023-02-01T11:59:43,936 {} 2023-02-01T11:59:43,936 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,936 vars2fortran: No typespec for argument "w2". 2023-02-01T11:59:43,936 {} 2023-02-01T11:59:43,936 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,936 vars2fortran: No typespec for argument "lamda2". 2023-02-01T11:59:43,937 {} 2023-02-01T11:59:43,937 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,937 vars2fortran: No typespec for argument "itop". 2023-02-01T11:59:43,937 {} 2023-02-01T11:59:43,937 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,937 vars2fortran: No typespec for argument "ibcut". 2023-02-01T11:59:43,937 {} 2023-02-01T11:59:43,937 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,938 vars2fortran: No typespec for argument "iapp". 2023-02-01T11:59:43,938 {} 2023-02-01T11:59:43,938 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,938 vars2fortran: No typespec for argument "napp". 2023-02-01T11:59:43,938 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:43,938 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,938 vars2fortran: No typespec for argument "iappn". 2023-02-01T11:59:43,938 {} 2023-02-01T11:59:43,939 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:des 2023-02-01T11:59:43,939 vars2fortran: No typespec for argument "nv". 2023-02-01T11:59:43,939 Block: des 2023-02-01T11:59:43,939 {} 2023-02-01T11:59:43,939 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:frequency 2023-02-01T11:59:43,939 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,939 {'attrspec': ['dimension(len)']} 2023-02-01T11:59:43,939 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:frequency 2023-02-01T11:59:43,939 vars2fortran: No typespec for argument "ip". 2023-02-01T11:59:43,940 {'attrspec': ['dimension(20)']} 2023-02-01T11:59:43,940 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:frequency 2023-02-01T11:59:43,940 vars2fortran: No typespec for argument "freq". 2023-02-01T11:59:43,940 Block: frequency 2023-02-01T11:59:43,940 {} 2023-02-01T11:59:43,940 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:dipeptide 2023-02-01T11:59:43,940 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,940 {'attrspec': ['dimension(len)']} 2023-02-01T11:59:43,940 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:dipeptide 2023-02-01T11:59:43,941 vars2fortran: No typespec for argument "ip". 2023-02-01T11:59:43,941 {'attrspec': ['dimension(20,20,nseg)']} 2023-02-01T11:59:43,941 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:dipeptide 2023-02-01T11:59:43,941 vars2fortran: No typespec for argument "dp". 2023-02-01T11:59:43,941 {} 2023-02-01T11:59:43,941 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:dipeptide 2023-02-01T11:59:43,941 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:43,941 Block: dipeptide 2023-02-01T11:59:43,942 {} 2023-02-01T11:59:43,942 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,942 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,942 {} 2023-02-01T11:59:43,942 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,942 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:43,942 {} 2023-02-01T11:59:43,942 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,943 vars2fortran: No typespec for argument "nlag". 2023-02-01T11:59:43,943 {} 2023-02-01T11:59:43,943 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,943 vars2fortran: No typespec for argument "imb". 2023-02-01T11:59:43,943 {} 2023-02-01T11:59:43,943 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,943 vars2fortran: No typespec for argument "imoran". 2023-02-01T11:59:43,943 {} 2023-02-01T11:59:43,943 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,944 vars2fortran: No typespec for argument "igeary". 2023-02-01T11:59:43,944 {} 2023-02-01T11:59:43,944 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,944 vars2fortran: No typespec for argument "nid". 2023-02-01T11:59:43,944 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:43,944 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,944 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,944 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,945 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,959 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,960 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,971 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:43,974 vars2fortran: No typespec for argument "iad". 2023-02-01T11:59:43,974 {'attrspec': ['dimension(10000)']} 2023-02-01T11:59:43,975 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,975 vars2fortran: No typespec for argument "xc". 2023-02-01T11:59:43,975 {} 2023-02-01T11:59:43,975 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autodes 2023-02-01T11:59:43,975 vars2fortran: No typespec for argument "nx". 2023-02-01T11:59:43,975 Block: autodes 2023-02-01T11:59:43,975 {} 2023-02-01T11:59:43,975 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automb 2023-02-01T11:59:43,976 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,976 {} 2023-02-01T11:59:43,976 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automb 2023-02-01T11:59:43,976 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:43,976 {} 2023-02-01T11:59:43,976 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automb 2023-02-01T11:59:43,976 vars2fortran: No typespec for argument "nlag". 2023-02-01T11:59:43,976 {'attrspec': ['dimension(20)']} 2023-02-01T11:59:43,976 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automb 2023-02-01T11:59:43,977 vars2fortran: No typespec for argument "p". 2023-02-01T11:59:43,977 {'attrspec': ['dimension(nlag,nseg)']} 2023-02-01T11:59:43,977 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automb 2023-02-01T11:59:43,977 vars2fortran: No typespec for argument "ac". 2023-02-01T11:59:43,977 Block: automb 2023-02-01T11:59:43,977 {} 2023-02-01T11:59:43,977 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automoran 2023-02-01T11:59:43,977 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,977 {} 2023-02-01T11:59:43,978 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automoran 2023-02-01T11:59:43,978 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:43,978 {} 2023-02-01T11:59:43,978 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automoran 2023-02-01T11:59:43,978 vars2fortran: No typespec for argument "nlag". 2023-02-01T11:59:43,978 {'attrspec': ['dimension(20)']} 2023-02-01T11:59:43,978 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automoran 2023-02-01T11:59:43,978 vars2fortran: No typespec for argument "p". 2023-02-01T11:59:43,978 {'attrspec': ['dimension(nlag,nseg)']} 2023-02-01T11:59:43,979 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:automoran 2023-02-01T11:59:43,979 vars2fortran: No typespec for argument "ac". 2023-02-01T11:59:43,979 Block: automoran 2023-02-01T11:59:43,979 {} 2023-02-01T11:59:43,979 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autogeary 2023-02-01T11:59:43,979 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,979 {} 2023-02-01T11:59:43,979 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autogeary 2023-02-01T11:59:43,980 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:43,980 {} 2023-02-01T11:59:43,980 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autogeary 2023-02-01T11:59:43,980 vars2fortran: No typespec for argument "nlag". 2023-02-01T11:59:43,980 {'attrspec': ['dimension(20)']} 2023-02-01T11:59:43,980 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autogeary 2023-02-01T11:59:43,980 vars2fortran: No typespec for argument "p". 2023-02-01T11:59:43,980 {'attrspec': ['dimension(nlag,nseg)']} 2023-02-01T11:59:43,980 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:autogeary 2023-02-01T11:59:43,981 vars2fortran: No typespec for argument "ac". 2023-02-01T11:59:43,981 Block: autogeary 2023-02-01T11:59:43,981 {} 2023-02-01T11:59:43,981 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctd 2023-02-01T11:59:43,981 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,981 {} 2023-02-01T11:59:43,981 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctd 2023-02-01T11:59:43,981 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:43,981 {} 2023-02-01T11:59:43,982 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctd 2023-02-01T11:59:43,982 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:43,982 {'attrspec': ['dimension(1000,nseg)']} 2023-02-01T11:59:43,982 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctd 2023-02-01T11:59:43,982 vars2fortran: No typespec for argument "x". 2023-02-01T11:59:43,982 {} 2023-02-01T11:59:43,982 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctd 2023-02-01T11:59:43,982 vars2fortran: No typespec for argument "nx". 2023-02-01T11:59:43,982 Block: ctd 2023-02-01T11:59:43,983 {} 2023-02-01T11:59:43,983 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctdx 2023-02-01T11:59:43,983 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,983 {} 2023-02-01T11:59:43,983 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctdx 2023-02-01T11:59:43,983 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:43,983 {'attrspec': ['dimension(100)']} 2023-02-01T11:59:43,983 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctdx 2023-02-01T11:59:43,984 vars2fortran: No typespec for argument "xc". 2023-02-01T11:59:43,984 {} 2023-02-01T11:59:43,984 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctdx 2023-02-01T11:59:43,984 vars2fortran: No typespec for argument "nx". 2023-02-01T11:59:43,984 {'attrspec': ['dimension(20)']} 2023-02-01T11:59:43,984 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctdx 2023-02-01T11:59:43,984 vars2fortran: No typespec for argument "id". 2023-02-01T11:59:43,984 {} 2023-02-01T11:59:43,984 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ctdx 2023-02-01T11:59:43,985 vars2fortran: No typespec for argument "ns". 2023-02-01T11:59:43,985 Block: ctdx 2023-02-01T11:59:43,985 {} 2023-02-01T11:59:43,985 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsodes 2023-02-01T11:59:43,985 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,985 {} 2023-02-01T11:59:43,985 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsodes 2023-02-01T11:59:43,985 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:43,985 {} 2023-02-01T11:59:43,986 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsodes 2023-02-01T11:59:43,986 vars2fortran: No typespec for argument "nlag". 2023-02-01T11:59:43,986 {} 2023-02-01T11:59:43,986 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsodes 2023-02-01T11:59:43,986 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:43,986 {'attrspec': ['dimension(1000,nseg)']} 2023-02-01T11:59:43,986 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsodes 2023-02-01T11:59:43,986 vars2fortran: No typespec for argument "xq". 2023-02-01T11:59:43,987 {} 2023-02-01T11:59:43,987 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsodes 2023-02-01T11:59:43,987 vars2fortran: No typespec for argument "nq". 2023-02-01T11:59:43,987 Block: qsodes 2023-02-01T11:59:43,987 {} 2023-02-01T11:59:43,987 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsod 2023-02-01T11:59:43,987 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:43,987 {} 2023-02-01T11:59:43,987 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsod 2023-02-01T11:59:43,988 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:43,988 {} 2023-02-01T11:59:43,988 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsod 2023-02-01T11:59:43,988 vars2fortran: No typespec for argument "nlag". 2023-02-01T11:59:43,988 {'attrspec': ['dimension(20,20)']} 2023-02-01T11:59:43,988 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsod 2023-02-01T11:59:43,988 vars2fortran: No typespec for argument "d". 2023-02-01T11:59:43,988 {} 2023-02-01T11:59:43,988 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsod 2023-02-01T11:59:43,989 vars2fortran: No typespec for argument "ns". 2023-02-01T11:59:43,989 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:43,989 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsod 2023-02-01T11:59:43,989 vars2fortran: No typespec for argument "xd". 2023-02-01T11:59:43,989 {} 2023-02-01T11:59:43,989 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:qsod 2023-02-01T11:59:43,989 vars2fortran: No typespec for argument "nd". 2023-02-01T11:59:43,989 Block: qsod 2023-02-01T11:59:43,990 {} 2023-02-01T11:59:43,990 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,990 vars2fortran: No typespec for argument "ipp". 2023-02-01T11:59:43,990 {} 2023-02-01T11:59:43,990 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,990 vars2fortran: No typespec for argument "iaac". 2023-02-01T11:59:43,990 {} 2023-02-01T11:59:43,990 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,990 vars2fortran: No typespec for argument "idpc". 2023-02-01T11:59:43,991 {} 2023-02-01T11:59:43,991 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,991 vars2fortran: No typespec for argument "iatd". 2023-02-01T11:59:43,991 {} 2023-02-01T11:59:43,991 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,991 vars2fortran: No typespec for argument "nlag". 2023-02-01T11:59:43,991 {} 2023-02-01T11:59:43,991 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,991 vars2fortran: No typespec for argument "imb". 2023-02-01T11:59:43,992 {} 2023-02-01T11:59:43,992 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,992 vars2fortran: No typespec for argument "imoran". 2023-02-01T11:59:43,992 {} 2023-02-01T11:59:43,992 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,992 vars2fortran: No typespec for argument "igeary". 2023-02-01T11:59:43,992 {} 2023-02-01T11:59:43,992 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,993 vars2fortran: No typespec for argument "nid". 2023-02-01T11:59:43,993 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:43,993 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,993 vars2fortran: No typespec for argument "iad". 2023-02-01T11:59:43,993 {} 2023-02-01T11:59:43,993 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,993 vars2fortran: No typespec for argument "ictd". 2023-02-01T11:59:43,993 {} 2023-02-01T11:59:43,993 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,994 vars2fortran: No typespec for argument "iqso". 2023-02-01T11:59:43,994 {} 2023-02-01T11:59:43,994 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,994 vars2fortran: No typespec for argument "nphi". 2023-02-01T11:59:43,994 {} 2023-02-01T11:59:43,994 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,994 vars2fortran: No typespec for argument "ipaac". 2023-02-01T11:59:43,994 {} 2023-02-01T11:59:43,994 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,995 vars2fortran: No typespec for argument "w1". 2023-02-01T11:59:43,995 {} 2023-02-01T11:59:43,995 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,995 vars2fortran: No typespec for argument "lamda1". 2023-02-01T11:59:43,995 {} 2023-02-01T11:59:43,995 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,995 vars2fortran: No typespec for argument "nset1". 2023-02-01T11:59:43,995 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:43,996 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,996 vars2fortran: No typespec for argument "nacp1". 2023-02-01T11:59:43,996 {'attrspec': ['dimension(1000,30)']} 2023-02-01T11:59:43,996 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,996 vars2fortran: No typespec for argument "idacp1". 2023-02-01T11:59:43,996 {} 2023-02-01T11:59:43,996 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,996 vars2fortran: No typespec for argument "iapaac". 2023-02-01T11:59:43,997 {} 2023-02-01T11:59:43,997 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,997 vars2fortran: No typespec for argument "w2". 2023-02-01T11:59:43,997 {} 2023-02-01T11:59:43,997 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,997 vars2fortran: No typespec for argument "lamda2". 2023-02-01T11:59:43,997 {} 2023-02-01T11:59:43,997 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,997 vars2fortran: No typespec for argument "itop". 2023-02-01T11:59:43,998 {} 2023-02-01T11:59:43,998 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,998 vars2fortran: No typespec for argument "ibcut". 2023-02-01T11:59:43,998 {} 2023-02-01T11:59:43,998 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:43,998 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:44,005 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:44,028 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:44,034 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:44,039 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:44,071 vars2fortran: No typespec for argument "iapp". 2023-02-01T11:59:44,071 {} 2023-02-01T11:59:44,072 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:44,072 vars2fortran: No typespec for argument "napp". 2023-02-01T11:59:44,072 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:44,072 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:44,072 vars2fortran: No typespec for argument "iappn". 2023-02-01T11:59:44,072 {} 2023-02-01T11:59:44,072 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:44,072 vars2fortran: No typespec for argument "methodpp". 2023-02-01T11:59:44,073 {} 2023-02-01T11:59:44,073 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readparam 2023-02-01T11:59:44,073 vars2fortran: No typespec for argument "methodpl". 2023-02-01T11:59:44,073 Block: readparam 2023-02-01T11:59:44,073 {} 2023-02-01T11:59:44,073 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,073 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,073 {} 2023-02-01T11:59:44,074 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,074 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,074 {} 2023-02-01T11:59:44,074 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,074 vars2fortran: No typespec for argument "w". 2023-02-01T11:59:44,074 {} 2023-02-01T11:59:44,074 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,074 vars2fortran: No typespec for argument "lamda". 2023-02-01T11:59:44,074 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:44,075 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,075 vars2fortran: No typespec for argument "xq". 2023-02-01T11:59:44,075 {} 2023-02-01T11:59:44,075 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,075 vars2fortran: No typespec for argument "nq". 2023-02-01T11:59:44,075 {} 2023-02-01T11:59:44,075 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,075 vars2fortran: No typespec for argument "ns". 2023-02-01T11:59:44,076 {} 2023-02-01T11:59:44,076 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,076 vars2fortran: No typespec for argument "nid". 2023-02-01T11:59:44,076 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:44,076 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:paac 2023-02-01T11:59:44,076 vars2fortran: No typespec for argument "idh". 2023-02-01T11:59:44,076 Block: paac 2023-02-01T11:59:44,076 {} 2023-02-01T11:59:44,076 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:apaac 2023-02-01T11:59:44,077 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,077 {} 2023-02-01T11:59:44,077 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:apaac 2023-02-01T11:59:44,077 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,077 {} 2023-02-01T11:59:44,077 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:apaac 2023-02-01T11:59:44,077 vars2fortran: No typespec for argument "w". 2023-02-01T11:59:44,077 {} 2023-02-01T11:59:44,078 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:apaac 2023-02-01T11:59:44,078 vars2fortran: No typespec for argument "lamda". 2023-02-01T11:59:44,078 {} 2023-02-01T11:59:44,078 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:apaac 2023-02-01T11:59:44,078 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:44,078 {'attrspec': ['dimension(1000,nseg)']} 2023-02-01T11:59:44,078 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:apaac 2023-02-01T11:59:44,078 vars2fortran: No typespec for argument "xq". 2023-02-01T11:59:44,079 {} 2023-02-01T11:59:44,079 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:apaac 2023-02-01T11:59:44,079 vars2fortran: No typespec for argument "nq". 2023-02-01T11:59:44,079 Block: apaac 2023-02-01T11:59:44,079 Block: readindex 2023-02-01T11:59:44,079 {} 2023-02-01T11:59:44,079 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:aacd 2023-02-01T11:59:44,079 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,079 {} 2023-02-01T11:59:44,080 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:aacd 2023-02-01T11:59:44,080 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:44,080 {'attrspec': ['dimension(len)']} 2023-02-01T11:59:44,080 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:aacd 2023-02-01T11:59:44,080 vars2fortran: No typespec for argument "ip". 2023-02-01T11:59:44,080 {'attrspec': ['dimension(20,nseg)']} 2023-02-01T11:59:44,080 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:aacd 2023-02-01T11:59:44,080 vars2fortran: No typespec for argument "xaacd". 2023-02-01T11:59:44,081 Block: aacd 2023-02-01T11:59:44,081 {} 2023-02-01T11:59:44,081 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,081 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,081 {} 2023-02-01T11:59:44,081 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,081 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,081 {} 2023-02-01T11:59:44,081 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,082 vars2fortran: No typespec for argument "wpseaa". 2023-02-01T11:59:44,082 {} 2023-02-01T11:59:44,082 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,082 vars2fortran: No typespec for argument "lamda". 2023-02-01T11:59:44,082 {'attrspec': ['dimension(1000,nseg)']} 2023-02-01T11:59:44,082 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,082 vars2fortran: No typespec for argument "xqs". 2023-02-01T11:59:44,082 {} 2023-02-01T11:59:44,083 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,083 vars2fortran: No typespec for argument "nq". 2023-02-01T11:59:44,083 {} 2023-02-01T11:59:44,083 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,083 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:44,083 {} 2023-02-01T11:59:44,083 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,083 vars2fortran: No typespec for argument "nid". 2023-02-01T11:59:44,083 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:44,084 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:spaac 2023-02-01T11:59:44,084 vars2fortran: No typespec for argument "idh". 2023-02-01T11:59:44,084 Block: spaac 2023-02-01T11:59:44,084 {} 2023-02-01T11:59:44,084 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:stopdes 2023-02-01T11:59:44,084 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,084 {} 2023-02-01T11:59:44,084 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:stopdes 2023-02-01T11:59:44,085 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,085 {} 2023-02-01T11:59:44,085 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:stopdes 2023-02-01T11:59:44,085 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:44,085 {} 2023-02-01T11:59:44,085 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:stopdes 2023-02-01T11:59:44,085 vars2fortran: No typespec for argument "ibcut". 2023-02-01T11:59:44,085 Block: stopdes 2023-02-01T11:59:44,086 {} 2023-02-01T11:59:44,086 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:seqnatom 2023-02-01T11:59:44,086 vars2fortran: No typespec for argument "ibegin". 2023-02-01T11:59:44,086 {} 2023-02-01T11:59:44,086 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:seqnatom 2023-02-01T11:59:44,086 vars2fortran: No typespec for argument "iend". 2023-02-01T11:59:44,086 {} 2023-02-01T11:59:44,086 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:seqnatom 2023-02-01T11:59:44,086 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,087 {} 2023-02-01T11:59:44,087 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:seqnatom 2023-02-01T11:59:44,087 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,087 Block: seqnatom 2023-02-01T11:59:44,087 {} 2023-02-01T11:59:44,087 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topseq 2023-02-01T11:59:44,087 vars2fortran: No typespec for argument "ibegin". 2023-02-01T11:59:44,087 {} 2023-02-01T11:59:44,088 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topseq 2023-02-01T11:59:44,088 vars2fortran: No typespec for argument "iend". 2023-02-01T11:59:44,088 {} 2023-02-01T11:59:44,088 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topseq 2023-02-01T11:59:44,088 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,088 {} 2023-02-01T11:59:44,088 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topseq 2023-02-01T11:59:44,088 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,088 {} 2023-02-01T11:59:44,089 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topseq 2023-02-01T11:59:44,089 vars2fortran: No typespec for argument "ns". 2023-02-01T11:59:44,089 {} 2023-02-01T11:59:44,089 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topseq 2023-02-01T11:59:44,089 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,089 {} 2023-02-01T11:59:44,089 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topseq 2023-02-01T11:59:44,089 vars2fortran: No typespec for argument "ibcut". 2023-02-01T11:59:44,090 Block: topseq 2023-02-01T11:59:44,090 {} 2023-02-01T11:59:44,090 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topgeo 2023-02-01T11:59:44,090 vars2fortran: No typespec for argument "ibegin". 2023-02-01T11:59:44,090 {} 2023-02-01T11:59:44,090 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topgeo 2023-02-01T11:59:44,090 vars2fortran: No typespec for argument "iend". 2023-02-01T11:59:44,090 {} 2023-02-01T11:59:44,090 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topgeo 2023-02-01T11:59:44,091 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,091 {} 2023-02-01T11:59:44,091 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topgeo 2023-02-01T11:59:44,091 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,091 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,091 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topgeo 2023-02-01T11:59:44,091 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,091 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,092 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topgeo 2023-02-01T11:59:44,092 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,092 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,092 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topgeo 2023-02-01T11:59:44,092 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,092 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,092 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topgeo 2023-02-01T11:59:44,092 vars2fortran: No typespec for argument "nbond". 2023-02-01T11:59:44,092 Block: topgeo 2023-02-01T11:59:44,093 {} 2023-02-01T11:59:44,093 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:top 2023-02-01T11:59:44,093 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,093 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,093 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:top 2023-02-01T11:59:44,093 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,093 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,093 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:top 2023-02-01T11:59:44,093 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,094 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,094 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:top 2023-02-01T11:59:44,094 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,094 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,094 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:top 2023-02-01T11:59:44,094 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,094 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,094 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:top 2023-02-01T11:59:44,095 vars2fortran: No typespec for argument "nbond". 2023-02-01T11:59:44,095 {} 2023-02-01T11:59:44,095 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:top 2023-02-01T11:59:44,095 vars2fortran: No typespec for argument "ibcut". 2023-02-01T11:59:44,095 Block: top 2023-02-01T11:59:44,095 {} 2023-02-01T11:59:44,095 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topdis 2023-02-01T11:59:44,095 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,096 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,096 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topdis 2023-02-01T11:59:44,096 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,096 analyzevars: character array "character*3 hybrid(natom)" is considered as "character hybrid(natom,3)"; "intent(c)" is forced. 2023-02-01T11:59:44,111 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,111 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topdis 2023-02-01T11:59:44,111 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,111 Block: topdis 2023-02-01T11:59:44,111 {} 2023-02-01T11:59:44,112 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kierhall 2023-02-01T11:59:44,112 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,112 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,112 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kierhall 2023-02-01T11:59:44,112 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,112 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,112 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kierhall 2023-02-01T11:59:44,112 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,113 {} 2023-02-01T11:59:44,113 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kierhall 2023-02-01T11:59:44,113 vars2fortran: No typespec for argument "x0". 2023-02-01T11:59:44,113 {} 2023-02-01T11:59:44,113 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kierhall 2023-02-01T11:59:44,113 vars2fortran: No typespec for argument "x1". 2023-02-01T11:59:44,113 {} 2023-02-01T11:59:44,113 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kierhall 2023-02-01T11:59:44,113 vars2fortran: No typespec for argument "x2". 2023-02-01T11:59:44,114 Block: kierhall 2023-02-01T11:59:44,114 {} 2023-02-01T11:59:44,114 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,114 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,114 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,114 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,114 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,114 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,115 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,115 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,115 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,115 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,115 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,115 {'attrspec': ['dimension(100)']} 2023-02-01T11:59:44,115 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,115 vars2fortran: No typespec for argument "nve". 2023-02-01T11:59:44,116 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,116 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,116 vars2fortran: No typespec for argument "vvd". 2023-02-01T11:59:44,116 {} 2023-02-01T11:59:44,116 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,116 vars2fortran: No typespec for argument "x0". 2023-02-01T11:59:44,116 {} 2023-02-01T11:59:44,116 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,117 vars2fortran: No typespec for argument "x1". 2023-02-01T11:59:44,117 {} 2023-02-01T11:59:44,117 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:valencecon 2023-02-01T11:59:44,117 vars2fortran: No typespec for argument "x2". 2023-02-01T11:59:44,117 Block: valencecon 2023-02-01T11:59:44,117 {} 2023-02-01T11:59:44,117 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappashape 2023-02-01T11:59:44,117 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,117 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,118 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappashape 2023-02-01T11:59:44,118 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,118 {} 2023-02-01T11:59:44,118 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappashape 2023-02-01T11:59:44,118 vars2fortran: No typespec for argument "ip1". 2023-02-01T11:59:44,118 {} 2023-02-01T11:59:44,118 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappashape 2023-02-01T11:59:44,118 vars2fortran: No typespec for argument "ip2". 2023-02-01T11:59:44,119 {} 2023-02-01T11:59:44,119 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappashape 2023-02-01T11:59:44,119 vars2fortran: No typespec for argument "ip3". 2023-02-01T11:59:44,119 Block: kappashape 2023-02-01T11:59:44,119 {} 2023-02-01T11:59:44,119 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappaalpha 2023-02-01T11:59:44,119 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,119 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,119 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappaalpha 2023-02-01T11:59:44,120 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,120 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,120 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappaalpha 2023-02-01T11:59:44,120 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,120 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,120 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappaalpha 2023-02-01T11:59:44,120 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,120 {} 2023-02-01T11:59:44,121 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappaalpha 2023-02-01T11:59:44,121 vars2fortran: No typespec for argument "ip1". 2023-02-01T11:59:44,121 {} 2023-02-01T11:59:44,121 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappaalpha 2023-02-01T11:59:44,121 vars2fortran: No typespec for argument "ip2". 2023-02-01T11:59:44,121 {} 2023-02-01T11:59:44,121 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:kappaalpha 2023-02-01T11:59:44,121 vars2fortran: No typespec for argument "ip3". 2023-02-01T11:59:44,121 Block: kappaalpha 2023-02-01T11:59:44,122 {} 2023-02-01T11:59:44,122 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atompt 2023-02-01T11:59:44,122 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,122 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,122 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atompt 2023-02-01T11:59:44,122 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,122 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,122 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atompt 2023-02-01T11:59:44,123 vars2fortran: No typespec for argument "sand". 2023-02-01T11:59:44,123 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,123 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atompt 2023-02-01T11:59:44,123 vars2fortran: No typespec for argument "alpha". 2023-02-01T11:59:44,123 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,123 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atompt 2023-02-01T11:59:44,123 vars2fortran: No typespec for argument "vdw". 2023-02-01T11:59:44,123 {} 2023-02-01T11:59:44,123 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atompt 2023-02-01T11:59:44,124 vars2fortran: No typespec for argument "ierror". 2023-02-01T11:59:44,124 Block: atompt 2023-02-01T11:59:44,124 {'attrspec': ['dimension(100)']} 2023-02-01T11:59:44,124 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:covalent 2023-02-01T11:59:44,124 vars2fortran: No typespec for argument "covar". 2023-02-01T11:59:44,124 Block: covalent 2023-02-01T11:59:44,124 {} 2023-02-01T11:59:44,124 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:zagreb 2023-02-01T11:59:44,125 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,125 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,125 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:zagreb 2023-02-01T11:59:44,125 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,125 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,125 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:zagreb 2023-02-01T11:59:44,125 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,125 Block: zagreb 2023-02-01T11:59:44,126 {} 2023-02-01T11:59:44,126 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:wiener 2023-02-01T11:59:44,126 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,126 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,126 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:wiener 2023-02-01T11:59:44,126 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,126 Block: wiener 2023-02-01T11:59:44,126 {} 2023-02-01T11:59:44,126 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:harary 2023-02-01T11:59:44,127 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,127 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,127 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:harary 2023-02-01T11:59:44,127 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,127 Block: harary 2023-02-01T11:59:44,127 {} 2023-02-01T11:59:44,127 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:sci 2023-02-01T11:59:44,127 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,127 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,128 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:sci 2023-02-01T11:59:44,128 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,128 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,128 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:sci 2023-02-01T11:59:44,128 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,128 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,128 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:sci 2023-02-01T11:59:44,128 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,129 {} 2023-02-01T11:59:44,129 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:sci 2023-02-01T11:59:44,129 vars2fortran: No typespec for argument "x0". 2023-02-01T11:59:44,129 {} 2023-02-01T11:59:44,129 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:sci 2023-02-01T11:59:44,129 vars2fortran: No typespec for argument "x1". 2023-02-01T11:59:44,129 {} 2023-02-01T11:59:44,129 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:sci 2023-02-01T11:59:44,129 vars2fortran: No typespec for argument "x2". 2023-02-01T11:59:44,130 Block: sci 2023-02-01T11:59:44,130 {} 2023-02-01T11:59:44,130 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:platt 2023-02-01T11:59:44,130 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,130 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,130 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:platt 2023-02-01T11:59:44,130 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,130 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,131 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:platt 2023-02-01T11:59:44,131 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,131 Block: platt 2023-02-01T11:59:44,131 {} 2023-02-01T11:59:44,131 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:npl 2023-02-01T11:59:44,131 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,131 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,131 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:npl 2023-02-01T11:59:44,131 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,132 {} 2023-02-01T11:59:44,132 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:npl 2023-02-01T11:59:44,132 vars2fortran: No typespec for argument "ip1". 2023-02-01T11:59:44,132 {} 2023-02-01T11:59:44,132 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:npl 2023-02-01T11:59:44,132 vars2fortran: No typespec for argument "ip2". 2023-02-01T11:59:44,132 {} 2023-02-01T11:59:44,132 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:npl 2023-02-01T11:59:44,133 vars2fortran: No typespec for argument "ip3". 2023-02-01T11:59:44,133 Block: npl 2023-02-01T11:59:44,133 {} 2023-02-01T11:59:44,133 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:vdd 2023-02-01T11:59:44,133 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,133 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,133 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:vdd 2023-02-01T11:59:44,133 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,134 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,134 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:vdd 2023-02-01T11:59:44,134 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,134 Block: vdd 2023-02-01T11:59:44,134 {} 2023-02-01T11:59:44,134 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:vddd 2023-02-01T11:59:44,134 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,155 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,155 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:vddd 2023-02-01T11:59:44,155 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,156 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,156 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:vddd 2023-02-01T11:59:44,156 vars2fortran: No typespec for argument "nvds". 2023-02-01T11:59:44,156 Block: vddd 2023-02-01T11:59:44,156 {} 2023-02-01T11:59:44,156 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:balaban 2023-02-01T11:59:44,156 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,156 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,157 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:balaban 2023-02-01T11:59:44,157 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,157 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,157 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:balaban 2023-02-01T11:59:44,157 vars2fortran: No typespec for argument "nvds". 2023-02-01T11:59:44,157 {} 2023-02-01T11:59:44,157 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:balaban 2023-02-01T11:59:44,157 vars2fortran: No typespec for argument "nb". 2023-02-01T11:59:44,158 Block: balaban 2023-02-01T11:59:44,158 {} 2023-02-01T11:59:44,158 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:pathcount 2023-02-01T11:59:44,158 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,158 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,158 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:pathcount 2023-02-01T11:59:44,158 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,158 Block: pathcount 2023-02-01T11:59:44,158 {} 2023-02-01T11:59:44,159 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:gravittop 2023-02-01T11:59:44,159 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,159 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,159 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:gravittop 2023-02-01T11:59:44,159 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,159 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,159 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:gravittop 2023-02-01T11:59:44,159 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,159 Block: gravittop 2023-02-01T11:59:44,160 {'attrspec': ['dimension(100)']} 2023-02-01T11:59:44,160 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atomw 2023-02-01T11:59:44,160 vars2fortran: No typespec for argument "aw". 2023-02-01T11:59:44,160 Block: atomw 2023-02-01T11:59:44,160 {'attrspec': ['dimension(100)']} 2023-02-01T11:59:44,160 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbve 2023-02-01T11:59:44,160 vars2fortran: No typespec for argument "nve". 2023-02-01T11:59:44,160 Block: numbve 2023-02-01T11:59:44,161 {} 2023-02-01T11:59:44,161 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:mvd 2023-02-01T11:59:44,161 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,161 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,161 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:mvd 2023-02-01T11:59:44,161 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,161 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,161 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:mvd 2023-02-01T11:59:44,161 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,162 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,162 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:mvd 2023-02-01T11:59:44,162 vars2fortran: No typespec for argument "nve". 2023-02-01T11:59:44,162 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,162 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:mvd 2023-02-01T11:59:44,162 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,162 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,162 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:mvd 2023-02-01T11:59:44,162 vars2fortran: No typespec for argument "vdm". 2023-02-01T11:59:44,163 Block: mvd 2023-02-01T11:59:44,163 {} 2023-02-01T11:59:44,163 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:xuindex 2023-02-01T11:59:44,163 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,163 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,163 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:xuindex 2023-02-01T11:59:44,163 vars2fortran: No typespec for argument "nve". 2023-02-01T11:59:44,163 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,163 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:xuindex 2023-02-01T11:59:44,164 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,164 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,164 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:xuindex 2023-02-01T11:59:44,164 vars2fortran: No typespec for argument "nvds". 2023-02-01T11:59:44,164 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,164 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:xuindex 2023-02-01T11:59:44,164 vars2fortran: No typespec for argument "vdm". 2023-02-01T11:59:44,164 Block: xuindex 2023-02-01T11:59:44,165 {} 2023-02-01T11:59:44,165 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tci 2023-02-01T11:59:44,165 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,165 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,165 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tci 2023-02-01T11:59:44,165 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,165 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,165 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tci 2023-02-01T11:59:44,165 vars2fortran: No typespec for argument "ctm". 2023-02-01T11:59:44,166 Block: tci 2023-02-01T11:59:44,166 {} 2023-02-01T11:59:44,166 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:schultz 2023-02-01T11:59:44,166 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,166 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,166 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:schultz 2023-02-01T11:59:44,166 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,166 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,166 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:schultz 2023-02-01T11:59:44,167 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,167 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,167 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:schultz 2023-02-01T11:59:44,167 vars2fortran: No typespec for argument "nvds". 2023-02-01T11:59:44,167 Block: schultz 2023-02-01T11:59:44,167 {} 2023-02-01T11:59:44,167 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:nvvd 2023-02-01T11:59:44,167 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,168 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,168 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:nvvd 2023-02-01T11:59:44,168 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,168 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,168 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:nvvd 2023-02-01T11:59:44,168 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,168 {'attrspec': ['dimension(100)']} 2023-02-01T11:59:44,168 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:nvvd 2023-02-01T11:59:44,168 vars2fortran: No typespec for argument "nve". 2023-02-01T11:59:44,169 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,169 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:nvvd 2023-02-01T11:59:44,169 vars2fortran: No typespec for argument "vvd". 2023-02-01T11:59:44,169 Block: nvvd 2023-02-01T11:59:44,169 {} 2023-02-01T11:59:44,169 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:edge 2023-02-01T11:59:44,169 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,169 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,169 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:edge 2023-02-01T11:59:44,169 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,170 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,170 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:edge 2023-02-01T11:59:44,170 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,170 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,170 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:edge 2023-02-01T11:59:44,170 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,170 {} 2023-02-01T11:59:44,170 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:edge 2023-02-01T11:59:44,170 vars2fortran: No typespec for argument "nb". 2023-02-01T11:59:44,171 Block: edge 2023-02-01T11:59:44,171 {} 2023-02-01T11:59:44,171 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:matrixp 2023-02-01T11:59:44,171 vars2fortran: No typespec for argument "n". 2023-02-01T11:59:44,171 {'attrspec': ['dimension(n,n)']} 2023-02-01T11:59:44,171 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:matrixp 2023-02-01T11:59:44,171 vars2fortran: No typespec for argument "mat1". 2023-02-01T11:59:44,171 {'attrspec': ['dimension(n,n)']} 2023-02-01T11:59:44,172 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:matrixp 2023-02-01T11:59:44,172 vars2fortran: No typespec for argument "mat2". 2023-02-01T11:59:44,172 {'attrspec': ['dimension(n,n)']} 2023-02-01T11:59:44,172 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:matrixp 2023-02-01T11:59:44,172 vars2fortran: No typespec for argument "mat". 2023-02-01T11:59:44,172 Block: matrixp 2023-02-01T11:59:44,172 {} 2023-02-01T11:59:44,172 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbh 2023-02-01T11:59:44,172 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,173 {} 2023-02-01T11:59:44,173 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbh 2023-02-01T11:59:44,173 vars2fortran: No typespec for argument "natoms". 2023-02-01T11:59:44,173 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,173 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbh 2023-02-01T11:59:44,173 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,173 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,173 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbh 2023-02-01T11:59:44,173 vars2fortran: No typespec for argument "intercon". 2023-02-01T11:59:44,174 {'attrspec': ['dimension(natoms)']} 2023-02-01T11:59:44,174 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbh 2023-02-01T11:59:44,174 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,174 Block: numbh 2023-02-01T11:59:44,174 {} 2023-02-01T11:59:44,174 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,174 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,174 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,174 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,175 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,175 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,175 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,175 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,175 {'attrspec': ['dimension(100)']} 2023-02-01T11:59:44,175 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,175 vars2fortran: No typespec for argument "nve". 2023-02-01T11:59:44,175 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,176 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,176 vars2fortran: No typespec for argument "nvd". 2023-02-01T11:59:44,176 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,176 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,176 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,176 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,176 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,176 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,176 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,177 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,205 vars2fortran: No typespec for argument "es". 2023-02-01T11:59:44,206 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,206 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:estateatom 2023-02-01T11:59:44,206 vars2fortran: No typespec for argument "esh". 2023-02-01T11:59:44,206 Block: estateatom 2023-02-01T11:59:44,206 {} 2023-02-01T11:59:44,206 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atomnumb 2023-02-01T11:59:44,206 vars2fortran: No typespec for argument "numb". 2023-02-01T11:59:44,207 {} 2023-02-01T11:59:44,207 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:atomnumb 2023-02-01T11:59:44,207 vars2fortran: No typespec for argument "ierror". 2023-02-01T11:59:44,207 Block: atomnumb 2023-02-01T11:59:44,207 {} 2023-02-01T11:59:44,207 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:extractp 2023-02-01T11:59:44,207 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,207 {} 2023-02-01T11:59:44,207 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:extractp 2023-02-01T11:59:44,208 vars2fortran: No typespec for argument "itop". 2023-02-01T11:59:44,208 {'attrspec': ['dimension(1000*itop)']} 2023-02-01T11:59:44,208 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:extractp 2023-02-01T11:59:44,208 vars2fortran: No typespec for argument "xtop". 2023-02-01T11:59:44,208 {} 2023-02-01T11:59:44,208 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:extractp 2023-02-01T11:59:44,208 vars2fortran: No typespec for argument "ntop". 2023-02-01T11:59:44,208 Block: extractp 2023-02-01T11:59:44,209 {} 2023-02-01T11:59:44,209 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:extractl 2023-02-01T11:59:44,209 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,209 {} 2023-02-01T11:59:44,209 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:extractl 2023-02-01T11:59:44,209 vars2fortran: No typespec for argument "itop". 2023-02-01T11:59:44,209 {'attrspec': ['dimension(1000*itop)']} 2023-02-01T11:59:44,209 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:extractl 2023-02-01T11:59:44,209 vars2fortran: No typespec for argument "xtop". 2023-02-01T11:59:44,210 {} 2023-02-01T11:59:44,210 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:extractl 2023-02-01T11:59:44,210 vars2fortran: No typespec for argument "ntop". 2023-02-01T11:59:44,210 Block: extractl 2023-02-01T11:59:44,210 {} 2023-02-01T11:59:44,210 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:radiusvdw 2023-02-01T11:59:44,210 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,210 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,210 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:radiusvdw 2023-02-01T11:59:44,211 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,211 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,211 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:radiusvdw 2023-02-01T11:59:44,211 vars2fortran: No typespec for argument "rvd". 2023-02-01T11:59:44,211 Block: radiusvdw 2023-02-01T11:59:44,211 {} 2023-02-01T11:59:44,211 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:dmrd 2023-02-01T11:59:44,211 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,212 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,212 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:dmrd 2023-02-01T11:59:44,212 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,212 Block: dmrd 2023-02-01T11:59:44,212 {} 2023-02-01T11:59:44,212 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:logptop 2023-02-01T11:59:44,212 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,212 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,212 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:logptop 2023-02-01T11:59:44,213 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,213 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,213 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:logptop 2023-02-01T11:59:44,213 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,213 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,213 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:logptop 2023-02-01T11:59:44,213 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,213 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,213 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:logptop 2023-02-01T11:59:44,214 vars2fortran: No typespec for argument "vvd". 2023-02-01T11:59:44,214 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,214 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:logptop 2023-02-01T11:59:44,214 vars2fortran: No typespec for argument "iarom". 2023-02-01T11:59:44,214 Block: logptop 2023-02-01T11:59:44,214 {} 2023-02-01T11:59:44,214 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:deltaopt 2023-02-01T11:59:44,214 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,214 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,215 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:deltaopt 2023-02-01T11:59:44,215 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,215 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,215 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:deltaopt 2023-02-01T11:59:44,215 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,215 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,215 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:deltaopt 2023-02-01T11:59:44,215 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,216 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,216 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:deltaopt 2023-02-01T11:59:44,216 vars2fortran: No typespec for argument "vvd". 2023-02-01T11:59:44,216 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,216 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:deltaopt 2023-02-01T11:59:44,216 vars2fortran: No typespec for argument "iarom". 2023-02-01T11:59:44,216 {} 2023-02-01T11:59:44,216 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:deltaopt 2023-02-01T11:59:44,216 vars2fortran: No typespec for argument "xopt". 2023-02-01T11:59:44,217 Block: deltaopt 2023-02-01T11:59:44,217 {} 2023-02-01T11:59:44,217 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,217 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,217 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,217 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,217 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,217 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,218 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,218 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,218 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,218 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,218 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,218 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,218 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,218 vars2fortran: No typespec for argument "iarom". 2023-02-01T11:59:44,218 {} 2023-02-01T11:59:44,219 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,219 vars2fortran: No typespec for argument "isc". 2023-02-01T11:59:44,219 {} 2023-02-01T11:59:44,219 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,219 vars2fortran: No typespec for argument "itc". 2023-02-01T11:59:44,219 {} 2023-02-01T11:59:44,219 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,219 vars2fortran: No typespec for argument "imet". 2023-02-01T11:59:44,219 {} 2023-02-01T11:59:44,220 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,220 vars2fortran: No typespec for argument "iphyd". 2023-02-01T11:59:44,220 {} 2023-02-01T11:59:44,220 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,220 vars2fortran: No typespec for argument "ialrin". 2023-02-01T11:59:44,220 {} 2023-02-01T11:59:44,220 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,220 vars2fortran: No typespec for argument "iconjug". 2023-02-01T11:59:44,220 {} 2023-02-01T11:59:44,221 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,221 vars2fortran: No typespec for argument "ihg2". 2023-02-01T11:59:44,221 {} 2023-02-01T11:59:44,221 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,221 vars2fortran: No typespec for argument "ihg3". 2023-02-01T11:59:44,221 {} 2023-02-01T11:59:44,221 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,221 vars2fortran: No typespec for argument "ihvic". 2023-02-01T11:59:44,221 {} 2023-02-01T11:59:44,222 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,222 vars2fortran: No typespec for argument "ipg2". 2023-02-01T11:59:44,222 {} 2023-02-01T11:59:44,222 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:indicator 2023-02-01T11:59:44,222 vars2fortran: No typespec for argument "ipvic". 2023-02-01T11:59:44,222 Block: indicator 2023-02-01T11:59:44,222 {} 2023-02-01T11:59:44,222 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ppides 2023-02-01T11:59:44,223 vars2fortran: No typespec for argument "maxv". 2023-02-01T11:59:44,223 {} 2023-02-01T11:59:44,223 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ppides 2023-02-01T11:59:44,223 vars2fortran: No typespec for argument "methodpp". 2023-02-01T11:59:44,223 Block: ppides 2023-02-01T11:59:44,223 {} 2023-02-01T11:59:44,223 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp1 2023-02-01T11:59:44,223 vars2fortran: No typespec for argument "na". 2023-02-01T11:59:44,223 {} 2023-02-01T11:59:44,224 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp1 2023-02-01T11:59:44,224 vars2fortran: No typespec for argument "nb". 2023-02-01T11:59:44,224 {} 2023-02-01T11:59:44,224 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp1 2023-02-01T11:59:44,224 vars2fortran: No typespec for argument "nab". 2023-02-01T11:59:44,224 {'attrspec': ['dimension(na)']} 2023-02-01T11:59:44,224 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp1 2023-02-01T11:59:44,224 vars2fortran: No typespec for argument "va". 2023-02-01T11:59:44,224 {'attrspec': ['dimension(nb)']} 2023-02-01T11:59:44,225 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp1 2023-02-01T11:59:44,225 vars2fortran: No typespec for argument "vb". 2023-02-01T11:59:44,225 {} 2023-02-01T11:59:44,225 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp1 2023-02-01T11:59:44,225 vars2fortran: No typespec for argument "nunit". 2023-02-01T11:59:44,225 Block: methodpp1 2023-02-01T11:59:44,225 {} 2023-02-01T11:59:44,225 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp2 2023-02-01T11:59:44,226 vars2fortran: No typespec for argument "na". 2023-02-01T11:59:44,226 {} 2023-02-01T11:59:44,226 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp2 2023-02-01T11:59:44,226 vars2fortran: No typespec for argument "nb". 2023-02-01T11:59:44,226 {} 2023-02-01T11:59:44,226 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp2 2023-02-01T11:59:44,226 vars2fortran: No typespec for argument "nab". 2023-02-01T11:59:44,226 {'attrspec': ['dimension(na)']} 2023-02-01T11:59:44,226 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp2 2023-02-01T11:59:44,227 vars2fortran: No typespec for argument "va". 2023-02-01T11:59:44,227 {'attrspec': ['dimension(nb)']} 2023-02-01T11:59:44,227 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp2 2023-02-01T11:59:44,227 vars2fortran: No typespec for argument "vb". 2023-02-01T11:59:44,227 {} 2023-02-01T11:59:44,227 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp2 2023-02-01T11:59:44,227 vars2fortran: No typespec for argument "nunit". 2023-02-01T11:59:44,227 Block: methodpp2 2023-02-01T11:59:44,227 {} 2023-02-01T11:59:44,228 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp3 2023-02-01T11:59:44,228 vars2fortran: No typespec for argument "na". 2023-02-01T11:59:44,228 {} 2023-02-01T11:59:44,228 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp3 2023-02-01T11:59:44,228 vars2fortran: No typespec for argument "nb". 2023-02-01T11:59:44,228 {} 2023-02-01T11:59:44,228 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp3 2023-02-01T11:59:44,228 rmbadname1: Replacing "len" with "len_bn". 2023-02-01T11:59:44,247 vars2fortran: No typespec for argument "nab". 2023-02-01T11:59:44,248 {'attrspec': ['dimension(na)']} 2023-02-01T11:59:44,248 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp3 2023-02-01T11:59:44,248 vars2fortran: No typespec for argument "va". 2023-02-01T11:59:44,248 {'attrspec': ['dimension(nb)']} 2023-02-01T11:59:44,248 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp3 2023-02-01T11:59:44,248 vars2fortran: No typespec for argument "vb". 2023-02-01T11:59:44,248 {} 2023-02-01T11:59:44,249 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpp3 2023-02-01T11:59:44,249 vars2fortran: No typespec for argument "nunit". 2023-02-01T11:59:44,249 Block: methodpp3 2023-02-01T11:59:44,249 {} 2023-02-01T11:59:44,249 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:plides 2023-02-01T11:59:44,249 vars2fortran: No typespec for argument "maxp". 2023-02-01T11:59:44,249 {} 2023-02-01T11:59:44,249 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:plides 2023-02-01T11:59:44,249 vars2fortran: No typespec for argument "maxl". 2023-02-01T11:59:44,250 {} 2023-02-01T11:59:44,250 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:plides 2023-02-01T11:59:44,250 vars2fortran: No typespec for argument "methodpl". 2023-02-01T11:59:44,250 Block: plides 2023-02-01T11:59:44,250 {} 2023-02-01T11:59:44,250 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl1 2023-02-01T11:59:44,250 vars2fortran: No typespec for argument "na". 2023-02-01T11:59:44,250 {} 2023-02-01T11:59:44,250 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl1 2023-02-01T11:59:44,251 vars2fortran: No typespec for argument "nb". 2023-02-01T11:59:44,251 {} 2023-02-01T11:59:44,251 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl1 2023-02-01T11:59:44,251 vars2fortran: No typespec for argument "nab". 2023-02-01T11:59:44,251 {'attrspec': ['dimension(na)']} 2023-02-01T11:59:44,251 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl1 2023-02-01T11:59:44,251 vars2fortran: No typespec for argument "va". 2023-02-01T11:59:44,251 {'attrspec': ['dimension(nb)']} 2023-02-01T11:59:44,252 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl1 2023-02-01T11:59:44,252 vars2fortran: No typespec for argument "vb". 2023-02-01T11:59:44,252 {} 2023-02-01T11:59:44,252 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl1 2023-02-01T11:59:44,252 vars2fortran: No typespec for argument "nunit". 2023-02-01T11:59:44,252 Block: methodpl1 2023-02-01T11:59:44,252 {} 2023-02-01T11:59:44,252 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl2 2023-02-01T11:59:44,252 vars2fortran: No typespec for argument "na". 2023-02-01T11:59:44,253 {} 2023-02-01T11:59:44,253 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl2 2023-02-01T11:59:44,253 vars2fortran: No typespec for argument "nb". 2023-02-01T11:59:44,253 {} 2023-02-01T11:59:44,253 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl2 2023-02-01T11:59:44,253 vars2fortran: No typespec for argument "nab". 2023-02-01T11:59:44,253 {'attrspec': ['dimension(na)']} 2023-02-01T11:59:44,253 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl2 2023-02-01T11:59:44,253 vars2fortran: No typespec for argument "va". 2023-02-01T11:59:44,254 {'attrspec': ['dimension(nb)']} 2023-02-01T11:59:44,254 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl2 2023-02-01T11:59:44,254 vars2fortran: No typespec for argument "vb". 2023-02-01T11:59:44,254 {} 2023-02-01T11:59:44,254 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:methodpl2 2023-02-01T11:59:44,254 vars2fortran: No typespec for argument "nunit". 2023-02-01T11:59:44,254 Block: methodpl2 2023-02-01T11:59:44,254 {} 2023-02-01T11:59:44,255 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:appdes 2023-02-01T11:59:44,255 vars2fortran: No typespec for argument "len_bn". 2023-02-01T11:59:44,255 {} 2023-02-01T11:59:44,255 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:appdes 2023-02-01T11:59:44,255 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,255 {} 2023-02-01T11:59:44,255 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:appdes 2023-02-01T11:59:44,255 vars2fortran: No typespec for argument "nseg". 2023-02-01T11:59:44,256 {} 2023-02-01T11:59:44,256 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:appdes 2023-02-01T11:59:44,256 vars2fortran: No typespec for argument "napp". 2023-02-01T11:59:44,256 {'attrspec': ['dimension(1000)']} 2023-02-01T11:59:44,256 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:appdes 2023-02-01T11:59:44,256 vars2fortran: No typespec for argument "iappn". 2023-02-01T11:59:44,256 {'attrspec': ['dimension(napp,nseg)']} 2023-02-01T11:59:44,256 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:appdes 2023-02-01T11:59:44,256 vars2fortran: No typespec for argument "xapp". 2023-02-01T11:59:44,257 Block: appdes 2023-02-01T11:59:44,257 {} 2023-02-01T11:59:44,257 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbatom 2023-02-01T11:59:44,257 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,257 {} 2023-02-01T11:59:44,257 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbatom 2023-02-01T11:59:44,257 vars2fortran: No typespec for argument "natoms". 2023-02-01T11:59:44,257 {} 2023-02-01T11:59:44,258 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbatom 2023-02-01T11:59:44,258 vars2fortran: No typespec for argument "iend". 2023-02-01T11:59:44,258 {} 2023-02-01T11:59:44,258 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbatom 2023-02-01T11:59:44,258 vars2fortran: No typespec for argument "ierror". 2023-02-01T11:59:44,258 Block: numbatom 2023-02-01T11:59:44,258 {} 2023-02-01T11:59:44,258 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topmol 2023-02-01T11:59:44,258 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,259 {} 2023-02-01T11:59:44,259 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topmol 2023-02-01T11:59:44,259 vars2fortran: No typespec for argument "natoms". 2023-02-01T11:59:44,259 {} 2023-02-01T11:59:44,259 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topmol 2023-02-01T11:59:44,259 vars2fortran: No typespec for argument "ibcut". 2023-02-01T11:59:44,259 {} 2023-02-01T11:59:44,259 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:topmol 2023-02-01T11:59:44,259 vars2fortran: No typespec for argument "ierror". 2023-02-01T11:59:44,260 Block: topmol 2023-02-01T11:59:44,260 {} 2023-02-01T11:59:44,260 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readmol 2023-02-01T11:59:44,260 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,260 {} 2023-02-01T11:59:44,260 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readmol 2023-02-01T11:59:44,260 vars2fortran: No typespec for argument "natoms". 2023-02-01T11:59:44,260 {'attrspec': ['dimension(natoms)']} 2023-02-01T11:59:44,261 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readmol 2023-02-01T11:59:44,261 vars2fortran: No typespec for argument "numbers". 2023-02-01T11:59:44,261 {'attrspec': ['dimension(natoms,natoms)']} 2023-02-01T11:59:44,261 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readmol 2023-02-01T11:59:44,261 vars2fortran: No typespec for argument "intercons". 2023-02-01T11:59:44,261 {'attrspec': ['dimension(natoms)']} 2023-02-01T11:59:44,261 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readmol 2023-02-01T11:59:44,261 vars2fortran: No typespec for argument "numhs". 2023-02-01T11:59:44,261 {'attrspec': ['dimension(natoms,natoms)']} 2023-02-01T11:59:44,262 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:readmol 2023-02-01T11:59:44,262 vars2fortran: No typespec for argument "nbonds". 2023-02-01T11:59:44,262 Block: readmol 2023-02-01T11:59:44,262 {} 2023-02-01T11:59:44,262 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:check 2023-02-01T11:59:44,262 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,262 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,262 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:check 2023-02-01T11:59:44,262 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,263 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,263 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:check 2023-02-01T11:59:44,263 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,263 {} 2023-02-01T11:59:44,263 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:check 2023-02-01T11:59:44,263 vars2fortran: No typespec for argument "ierror". 2023-02-01T11:59:44,263 Block: check 2023-02-01T11:59:44,263 {} 2023-02-01T11:59:44,263 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:constitution 2023-02-01T11:59:44,264 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,264 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,264 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:constitution 2023-02-01T11:59:44,264 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,264 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,264 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:constitution 2023-02-01T11:59:44,264 vars2fortran: No typespec for argument "intercon". 2023-02-01T11:59:44,264 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,265 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:constitution 2023-02-01T11:59:44,265 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,265 Block: constitution 2023-02-01T11:59:44,265 {} 2023-02-01T11:59:44,265 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:hbond 2023-02-01T11:59:44,265 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,265 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,265 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:hbond 2023-02-01T11:59:44,265 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,266 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,266 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:hbond 2023-02-01T11:59:44,266 vars2fortran: No typespec for argument "intercon". 2023-02-01T11:59:44,266 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,266 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:hbond 2023-02-01T11:59:44,266 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,266 Block: hbond 2023-02-01T11:59:44,266 {} 2023-02-01T11:59:44,266 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:weight 2023-02-01T11:59:44,267 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,267 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,267 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:weight 2023-02-01T11:59:44,267 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,267 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,267 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:weight 2023-02-01T11:59:44,267 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,267 Block: weight 2023-02-01T11:59:44,268 {} 2023-02-01T11:59:44,268 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,268 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,268 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,268 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,268 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,268 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,268 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,268 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,269 {} 2023-02-01T11:59:44,269 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,269 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,269 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,269 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,269 vars2fortran: No typespec for argument "iarom". 2023-02-01T11:59:44,269 {} 2023-02-01T11:59:44,269 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,269 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:44,270 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,270 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,270 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:44,270 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,270 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,270 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:44,270 analyzevars: character array "character*3 hybrid(natom)" is considered as "character hybrid(natom,3)"; "intent(c)" is forced. 2023-02-01T11:59:44,298 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,298 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringinf 2023-02-01T11:59:44,298 vars2fortran: No typespec for argument "nringarom". 2023-02-01T11:59:44,298 Block: ringinf 2023-02-01T11:59:44,298 {} 2023-02-01T11:59:44,299 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:printring 2023-02-01T11:59:44,299 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,299 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,299 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:printring 2023-02-01T11:59:44,299 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,299 {} 2023-02-01T11:59:44,299 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:printring 2023-02-01T11:59:44,299 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:44,300 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,300 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:printring 2023-02-01T11:59:44,300 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:44,300 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,300 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:printring 2023-02-01T11:59:44,300 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:44,300 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,300 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:printring 2023-02-01T11:59:44,300 vars2fortran: No typespec for argument "nringarom". 2023-02-01T11:59:44,301 Block: printring 2023-02-01T11:59:44,301 {} 2023-02-01T11:59:44,301 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringpercept 2023-02-01T11:59:44,301 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,301 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,301 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringpercept 2023-02-01T11:59:44,301 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,301 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,301 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringpercept 2023-02-01T11:59:44,302 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,302 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,302 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringpercept 2023-02-01T11:59:44,302 vars2fortran: No typespec for argument "nc". 2023-02-01T11:59:44,302 {'attrspec': ['dimension(natom,8)']} 2023-02-01T11:59:44,302 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringpercept 2023-02-01T11:59:44,302 vars2fortran: No typespec for argument "linc". 2023-02-01T11:59:44,302 {} 2023-02-01T11:59:44,303 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringpercept 2023-02-01T11:59:44,303 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:44,303 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,303 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringpercept 2023-02-01T11:59:44,303 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:44,303 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,303 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringpercept 2023-02-01T11:59:44,303 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:44,303 Block: ringpercept 2023-02-01T11:59:44,304 {} 2023-02-01T11:59:44,304 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ring 2023-02-01T11:59:44,304 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,304 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,304 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ring 2023-02-01T11:59:44,304 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,304 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,304 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ring 2023-02-01T11:59:44,304 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,305 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,305 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ring 2023-02-01T11:59:44,305 vars2fortran: No typespec for argument "nc". 2023-02-01T11:59:44,305 {'attrspec': ['dimension(natom,8)']} 2023-02-01T11:59:44,305 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ring 2023-02-01T11:59:44,305 vars2fortran: No typespec for argument "linc". 2023-02-01T11:59:44,305 {} 2023-02-01T11:59:44,305 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ring 2023-02-01T11:59:44,306 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:44,306 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,306 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ring 2023-02-01T11:59:44,306 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:44,306 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,306 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ring 2023-02-01T11:59:44,306 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:44,306 Block: ring 2023-02-01T11:59:44,306 {} 2023-02-01T11:59:44,307 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringarom 2023-02-01T11:59:44,307 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,307 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,307 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringarom 2023-02-01T11:59:44,307 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,307 {} 2023-02-01T11:59:44,307 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringarom 2023-02-01T11:59:44,307 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:44,307 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,308 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringarom 2023-02-01T11:59:44,308 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:44,308 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,308 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringarom 2023-02-01T11:59:44,308 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:44,308 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,308 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:ringarom 2023-02-01T11:59:44,308 vars2fortran: No typespec for argument "nringarom". 2023-02-01T11:59:44,308 Block: ringarom 2023-02-01T11:59:44,309 {} 2023-02-01T11:59:44,309 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,309 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,309 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,309 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,309 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,309 {} 2023-02-01T11:59:44,309 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,309 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:44,310 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,310 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,310 vars2fortran: No typespec for argument "nbond". 2023-02-01T11:59:44,310 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,310 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,310 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:44,310 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,310 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,311 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:44,311 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,311 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,311 vars2fortran: No typespec for argument "nringarom". 2023-02-01T11:59:44,311 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,311 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,311 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,311 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,311 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,312 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,312 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,312 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:groups 2023-02-01T11:59:44,312 vars2fortran: No typespec for argument "iarom". 2023-02-01T11:59:44,312 Block: groups 2023-02-01T11:59:44,312 {} 2023-02-01T11:59:44,312 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,312 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,313 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,313 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,313 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,313 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,313 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,313 vars2fortran: No typespec for argument "nbond". 2023-02-01T11:59:44,313 {} 2023-02-01T11:59:44,313 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,313 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:44,314 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,314 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,314 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:44,314 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,314 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,314 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:44,314 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,314 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,314 vars2fortran: No typespec for argument "nringarom". 2023-02-01T11:59:44,315 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,315 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,315 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,315 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,315 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,315 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,315 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,315 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:fingerring 2023-02-01T11:59:44,316 vars2fortran: No typespec for argument "iarom". 2023-02-01T11:59:44,316 Block: fingerring 2023-02-01T11:59:44,316 {} 2023-02-01T11:59:44,316 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,316 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,316 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,316 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,316 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,316 {} 2023-02-01T11:59:44,317 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,317 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:44,317 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,317 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,317 vars2fortran: No typespec for argument "nbond". 2023-02-01T11:59:44,317 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,317 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,317 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:44,317 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,318 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,318 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:44,318 {} 2023-02-01T11:59:44,318 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,318 vars2fortran: No typespec for argument "nringarom". 2023-02-01T11:59:44,318 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,318 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,343 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,344 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,344 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,344 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,344 {} 2023-02-01T11:59:44,344 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,344 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:44,344 {} 2023-02-01T11:59:44,345 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:numbrot 2023-02-01T11:59:44,345 vars2fortran: No typespec for argument "iarom". 2023-02-01T11:59:44,345 Block: numbrot 2023-02-01T11:59:44,345 {} 2023-02-01T11:59:44,345 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,345 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,345 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,345 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,345 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,346 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,346 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,346 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,346 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,346 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,346 vars2fortran: No typespec for argument "sand". 2023-02-01T11:59:44,346 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,346 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,347 vars2fortran: No typespec for argument "bd". 2023-02-01T11:59:44,347 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,347 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,347 vars2fortran: No typespec for argument "es". 2023-02-01T11:59:44,347 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,347 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,347 vars2fortran: No typespec for argument "rvd". 2023-02-01T11:59:44,347 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,348 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,348 vars2fortran: No typespec for argument "alpha". 2023-02-01T11:59:44,348 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,348 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:bcuttop 2023-02-01T11:59:44,348 vars2fortran: No typespec for argument "vdw". 2023-02-01T11:59:44,348 Block: bcuttop 2023-02-01T11:59:44,348 {} 2023-02-01T11:59:44,348 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:jacobi 2023-02-01T11:59:44,348 vars2fortran: No typespec for argument "n". 2023-02-01T11:59:44,349 {} 2023-02-01T11:59:44,349 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:jacobi 2023-02-01T11:59:44,349 vars2fortran: No typespec for argument "np". 2023-02-01T11:59:44,349 {'attrspec': ['dimension(np,np)']} 2023-02-01T11:59:44,349 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:jacobi 2023-02-01T11:59:44,349 vars2fortran: No typespec for argument "a". 2023-02-01T11:59:44,349 {'attrspec': ['dimension(np)']} 2023-02-01T11:59:44,349 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:jacobi 2023-02-01T11:59:44,350 vars2fortran: No typespec for argument "d". 2023-02-01T11:59:44,350 Block: jacobi 2023-02-01T11:59:44,350 {} 2023-02-01T11:59:44,350 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreau 2023-02-01T11:59:44,350 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,350 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,350 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreau 2023-02-01T11:59:44,350 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,351 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,351 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreau 2023-02-01T11:59:44,351 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,351 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,351 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreau 2023-02-01T11:59:44,351 vars2fortran: No typespec for argument "sand". 2023-02-01T11:59:44,351 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,351 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreau 2023-02-01T11:59:44,351 vars2fortran: No typespec for argument "es". 2023-02-01T11:59:44,352 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,352 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreau 2023-02-01T11:59:44,352 vars2fortran: No typespec for argument "rvd". 2023-02-01T11:59:44,352 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,352 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreau 2023-02-01T11:59:44,352 vars2fortran: No typespec for argument "alpha". 2023-02-01T11:59:44,352 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,352 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreau 2023-02-01T11:59:44,352 vars2fortran: No typespec for argument "vdw". 2023-02-01T11:59:44,353 Block: moreau 2023-02-01T11:59:44,353 {} 2023-02-01T11:59:44,353 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moran 2023-02-01T11:59:44,353 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,353 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,353 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moran 2023-02-01T11:59:44,353 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,353 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,353 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moran 2023-02-01T11:59:44,354 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,354 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,354 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moran 2023-02-01T11:59:44,354 vars2fortran: No typespec for argument "sand". 2023-02-01T11:59:44,354 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,354 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moran 2023-02-01T11:59:44,354 vars2fortran: No typespec for argument "es". 2023-02-01T11:59:44,354 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,354 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moran 2023-02-01T11:59:44,355 vars2fortran: No typespec for argument "rvd". 2023-02-01T11:59:44,355 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,355 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moran 2023-02-01T11:59:44,355 vars2fortran: No typespec for argument "alpha". 2023-02-01T11:59:44,355 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,355 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moran 2023-02-01T11:59:44,355 vars2fortran: No typespec for argument "vdw". 2023-02-01T11:59:44,355 Block: moran 2023-02-01T11:59:44,355 {} 2023-02-01T11:59:44,356 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:geary 2023-02-01T11:59:44,356 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,356 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,356 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:geary 2023-02-01T11:59:44,356 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,356 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,356 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:geary 2023-02-01T11:59:44,356 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,356 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,357 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:geary 2023-02-01T11:59:44,357 vars2fortran: No typespec for argument "sand". 2023-02-01T11:59:44,357 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,357 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:geary 2023-02-01T11:59:44,357 vars2fortran: No typespec for argument "es". 2023-02-01T11:59:44,357 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,357 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:geary 2023-02-01T11:59:44,357 vars2fortran: No typespec for argument "rvd". 2023-02-01T11:59:44,357 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,357 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:geary 2023-02-01T11:59:44,358 vars2fortran: No typespec for argument "alpha". 2023-02-01T11:59:44,358 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,358 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:geary 2023-02-01T11:59:44,358 vars2fortran: No typespec for argument "vdw". 2023-02-01T11:59:44,358 Block: geary 2023-02-01T11:59:44,358 {} 2023-02-01T11:59:44,358 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreauw 2023-02-01T11:59:44,358 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,358 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,359 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreauw 2023-02-01T11:59:44,359 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,359 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,359 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreauw 2023-02-01T11:59:44,359 vars2fortran: No typespec for argument "w". 2023-02-01T11:59:44,359 {} 2023-02-01T11:59:44,359 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moreauw 2023-02-01T11:59:44,359 vars2fortran: No typespec for argument "ip". 2023-02-01T11:59:44,359 Block: moreauw 2023-02-01T11:59:44,359 {} 2023-02-01T11:59:44,360 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moranw 2023-02-01T11:59:44,360 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,360 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,360 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moranw 2023-02-01T11:59:44,360 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,360 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,360 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moranw 2023-02-01T11:59:44,360 vars2fortran: No typespec for argument "w". 2023-02-01T11:59:44,360 {} 2023-02-01T11:59:44,361 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:moranw 2023-02-01T11:59:44,361 vars2fortran: No typespec for argument "ip". 2023-02-01T11:59:44,361 Block: moranw 2023-02-01T11:59:44,361 {} 2023-02-01T11:59:44,361 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:gearyw 2023-02-01T11:59:44,361 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,361 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,361 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:gearyw 2023-02-01T11:59:44,361 vars2fortran: No typespec for argument "is". 2023-02-01T11:59:44,361 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,362 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:gearyw 2023-02-01T11:59:44,362 vars2fortran: No typespec for argument "w". 2023-02-01T11:59:44,362 {} 2023-02-01T11:59:44,362 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:gearyw 2023-02-01T11:59:44,362 vars2fortran: No typespec for argument "ip". 2023-02-01T11:59:44,362 Block: gearyw 2023-02-01T11:59:44,362 {} 2023-02-01T11:59:44,362 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:trans 2023-02-01T11:59:44,362 vars2fortran: No typespec for argument "idm". 2023-02-01T11:59:44,363 {} 2023-02-01T11:59:44,363 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:trans 2023-02-01T11:59:44,363 vars2fortran: No typespec for argument "ii". 2023-02-01T11:59:44,363 Block: trans 2023-02-01T11:59:44,363 {} 2023-02-01T11:59:44,363 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:44,363 vars2fortran: No typespec for argument "natom". 2023-02-01T11:59:44,363 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,363 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:44,364 vars2fortran: No typespec for argument "number". 2023-02-01T11:59:44,364 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,364 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:44,364 vars2fortran: No typespec for argument "ic". 2023-02-01T11:59:44,364 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:44,364 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:44,364 vars2fortran: No typespec for argument "nbond". 2023-02-01T11:59:44,364 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:44,364 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:47,022 vars2fortran: No typespec for argument "numh". 2023-02-01T11:59:47,022 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:47,022 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:47,022 vars2fortran: No typespec for argument "iarom". 2023-02-01T11:59:47,022 {} 2023-02-01T11:59:47,023 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:47,023 vars2fortran: No typespec for argument "nring". 2023-02-01T11:59:47,023 {'attrspec': ['dimension(natom,natom)']} 2023-02-01T11:59:47,023 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:47,023 vars2fortran: No typespec for argument "nringatm". 2023-02-01T11:59:47,023 {'attrspec': ['dimension(natom)']} 2023-02-01T11:59:47,023 In: :_libprofeat:./annopro/data_procession/_libprofeat.f:tpsa 2023-02-01T11:59:47,023 vars2fortran: No typespec for argument "nringsize". 2023-02-01T11:59:47,024 Block: tpsa 2023-02-01T11:59:47,024 Post-processing (stage 2)... 2023-02-01T11:59:47,024 Building modules... 2023-02-01T11:59:47,024 Building module "_libprofeat"... 2023-02-01T11:59:47,024 Constructing wrapper function "run"... 2023-02-01T11:59:47,024 run(protein_fasta_file,output_dir,output_dir_len,config_dir,config_dir_len) 2023-02-01T11:59:47,024 Constructing wrapper function "convert"... 2023-02-01T11:59:47,024 convert(line,ln) 2023-02-01T11:59:47,025 Constructing wrapper function "des"... 2023-02-01T11:59:47,025 des(seq,name,np,len_bn,iaac,idpc,iatd,nlag,imb,imoran,igeary,nid,iad,ictd,iqso,nphi,ipaac,w1,lamda1,nset1,nacp1,idacp1,iapaac,w2,lamda2,itop,ibcut,iapp,napp,iappn,nv) 2023-02-01T11:59:47,025 Constructing wrapper function "frequency"... 2023-02-01T11:59:47,025 frequency(str,seq,ip,freq,[len_bn]) 2023-02-01T11:59:47,025 Constructing wrapper function "dipeptide"... 2023-02-01T11:59:47,025 dipeptide(str,seq,ip,dp,[len_bn,nseg]) 2023-02-01T11:59:47,025 Constructing wrapper function "autodes"... 2023-02-01T11:59:47,025 autodes(seq,len_bn,np,nlag,imb,imoran,igeary,nid,iad,xc,nx) 2023-02-01T11:59:47,025 Constructing wrapper function "automb"... 2023-02-01T11:59:47,026 automb(seq,len_bn,aa,p,ac,[nseg,nlag]) 2023-02-01T11:59:47,026 Constructing wrapper function "automoran"... 2023-02-01T11:59:47,026 automoran(seq,len_bn,aa,p,ac,[nseg,nlag]) 2023-02-01T11:59:47,026 Constructing wrapper function "autogeary"... 2023-02-01T11:59:47,026 autogeary(seq,len_bn,aa,p,ac,[nseg,nlag]) 2023-02-01T11:59:47,026 Constructing wrapper function "ctd"... 2023-02-01T11:59:47,026 ctd(seq,len_bn,np,x,nx,[nseg]) 2023-02-01T11:59:47,026 Constructing wrapper function "ctdx"... 2023-02-01T11:59:47,026 ctdx(seq,len_bn,np,xc,nx,id,name,ns) 2023-02-01T11:59:47,027 Constructing wrapper function "qsodes"... 2023-02-01T11:59:47,027 qsodes(seq,len_bn,np,nlag,xq,nq,[nseg]) 2023-02-01T11:59:47,027 Constructing wrapper function "qsod"... 2023-02-01T11:59:47,027 qsod(seq,len_bn,np,name,nlag,d,aa,ns,xd,nd) 2023-02-01T11:59:47,027 Constructing wrapper function "readparam"... 2023-02-01T11:59:47,027 readparam(ipp,iaac,idpc,iatd,nlag,imb,imoran,igeary,nid,iad,ictd,iqso,nphi,ipaac,w1,lamda1,nset1,nacp1,idacp1,iapaac,w2,lamda2,itop,ibcut,iapp,napp,iappn,methodpp,methodpl) 2023-02-01T11:59:47,027 Constructing wrapper function "paac"... 2023-02-01T11:59:47,027 paac(seq,len_bn,np,w,lamda,xq,nq,ns,nid,idh) 2023-02-01T11:59:47,027 Constructing wrapper function "apaac"... 2023-02-01T11:59:47,028 apaac(seq,len_bn,np,w,lamda,xq,nq,[nseg]) 2023-02-01T11:59:47,028 Constructing wrapper function "readindex"... 2023-02-01T11:59:47,028 readindex() 2023-02-01T11:59:47,028 Constructing wrapper function "aacd"... 2023-02-01T11:59:47,028 aacd(str,seq,ip,xaacd,[len_bn,nseg]) 2023-02-01T11:59:47,028 Constructing wrapper function "spaac"... 2023-02-01T11:59:47,028 spaac(seq,len_bn,np,wpseaa,lamda,xqs,nq,nid,idh,[nseg]) 2023-02-01T11:59:47,028 Constructing wrapper function "stopdes"... 2023-02-01T11:59:47,028 stopdes(seq,len_bn,np,nseg,ibcut) 2023-02-01T11:59:47,029 Constructing wrapper function "seqnatom"... 2023-02-01T11:59:47,029 seqnatom(seq,ibegin,iend,len_bn,natom) 2023-02-01T11:59:47,029 Constructing wrapper function "topseq"... 2023-02-01T11:59:47,029 topseq(seq,ibegin,iend,len_bn,np,ns,natom,ibcut) 2023-02-01T11:59:47,029 Constructing wrapper function "topgeo"... 2023-02-01T11:59:47,029 topgeo(seq,ibegin,iend,len_bn,ic,number,numh,nbond,[natom]) 2023-02-01T11:59:47,029 Constructing wrapper function "top"... 2023-02-01T11:59:47,029 top(ic,is,number,numh,nbond,ibcut,[natom]) 2023-02-01T11:59:47,029 Constructing wrapper function "topdis"... 2023-02-01T11:59:47,030 topdis(ic,is,[natom]) 2023-02-01T11:59:47,030 Constructing wrapper function "kierhall"... 2023-02-01T11:59:47,030 kierhall(ic,nvd,x0,x1,x2,[natom]) 2023-02-01T11:59:47,030 Constructing wrapper function "valencecon"... 2023-02-01T11:59:47,030 valencecon(number,numh,ic,nve,vvd,x0,x1,x2,[natom]) 2023-02-01T11:59:47,030 Constructing wrapper function "kappashape"... 2023-02-01T11:59:47,030 kappashape(ic,ip1,ip2,ip3,[natom]) 2023-02-01T11:59:47,030 Constructing wrapper function "kappaalpha"... 2023-02-01T11:59:47,030 kappaalpha(number,numh,ic,ip1,ip2,ip3,[natom]) 2023-02-01T11:59:47,031 Constructing wrapper function "atompt"... 2023-02-01T11:59:47,031 atompt(number,sand,alpha,vdw,ierror,[natom]) 2023-02-01T11:59:47,031 Constructing wrapper function "covalent"... 2023-02-01T11:59:47,031 covalent(covar) 2023-02-01T11:59:47,031 Constructing wrapper function "zagreb"... 2023-02-01T11:59:47,031 zagreb(ic,nvd,[natom]) 2023-02-01T11:59:47,031 Constructing wrapper function "wiener"... 2023-02-01T11:59:47,031 wiener(is,[natom]) 2023-02-01T11:59:47,031 Constructing wrapper function "harary"... 2023-02-01T11:59:47,031 harary(is,[natom]) 2023-02-01T11:59:47,032 Constructing wrapper function "sci"... 2023-02-01T11:59:47,032 sci(number,ic,nvd,x0,x1,x2,[natom]) 2023-02-01T11:59:47,032 Constructing wrapper function "platt"... 2023-02-01T11:59:47,032 platt(nvd,ic,[natom]) 2023-02-01T11:59:47,032 Constructing wrapper function "npl"... 2023-02-01T11:59:47,032 npl(is,ip1,ip2,ip3,[natom]) 2023-02-01T11:59:47,032 Constructing wrapper function "vdd"... 2023-02-01T11:59:47,032 vdd(ic,nvd,[natom]) 2023-02-01T11:59:47,032 Constructing wrapper function "vddd"... 2023-02-01T11:59:47,033 vddd(is,nvds,[natom]) 2023-02-01T11:59:47,033 Constructing wrapper function "balaban"... 2023-02-01T11:59:47,033 balaban(ic,nvds,nb,[natom]) 2023-02-01T11:59:47,033 Constructing wrapper function "pathcount"... 2023-02-01T11:59:47,033 pathcount(is,[natom]) 2023-02-01T11:59:47,033 Constructing wrapper function "gravittop"... 2023-02-01T11:59:47,033 gravittop(number,is,[natom]) 2023-02-01T11:59:47,033 Constructing wrapper function "atomw"... 2023-02-01T11:59:47,033 atomw(aw) 2023-02-01T11:59:47,034 Constructing wrapper function "numbve"... 2023-02-01T11:59:47,034 numbve(nve) 2023-02-01T11:59:47,034 Constructing wrapper function "mvd"... 2023-02-01T11:59:47,034 mvd(number,numh,nve,nvd,vdm,[natom]) 2023-02-01T11:59:47,034 Constructing wrapper function "xuindex"... 2023-02-01T11:59:47,034 xuindex(nve,nvd,nvds,vdm,[natom]) 2023-02-01T11:59:47,034 Constructing wrapper function "tci"... 2023-02-01T11:59:47,034 tci(is,ctm,[natom]) 2023-02-01T11:59:47,034 Constructing wrapper function "schultz"... 2023-02-01T11:59:47,035 schultz(is,nvd,nvds,[natom]) 2023-02-01T11:59:47,035 Constructing wrapper function "nvvd"... 2023-02-01T11:59:47,035 nvvd(number,numh,nve,vvd,[natom]) 2023-02-01T11:59:47,035 Constructing wrapper function "edge"... 2023-02-01T11:59:47,035 edge(ic,is,nvd,nb,[natom]) 2023-02-01T11:59:47,035 Constructing wrapper function "matrixp"... 2023-02-01T11:59:47,035 matrixp(mat1,mat2,mat,[n]) 2023-02-01T11:59:47,035 Constructing wrapper function "numbh"... 2023-02-01T11:59:47,035 numbh(number,intercon,numh,[natom,natoms]) 2023-02-01T11:59:47,036 Constructing wrapper function "estateatom"... 2023-02-01T11:59:47,036 estateatom(number,numh,nve,nvd,ic,is,es,esh,[natom]) 2023-02-01T11:59:47,036 Constructing wrapper function "atomnumb"... 2023-02-01T11:59:47,036 atomnumb(name,numb,ierror) 2023-02-01T11:59:47,036 Constructing wrapper function "extractp"... 2023-02-01T11:59:47,036 extractp(np,xtop,ntop,[itop]) 2023-02-01T11:59:47,036 Constructing wrapper function "extractl"... 2023-02-01T11:59:47,036 extractl(np,xtop,ntop,[itop]) 2023-02-01T11:59:47,036 Constructing wrapper function "radiusvdw"... 2023-02-01T11:59:47,037 radiusvdw(number,rvd,[natom]) 2023-02-01T11:59:47,037 Constructing wrapper function "dmrd"... 2023-02-01T11:59:47,037 dmrd(is,[natom]) 2023-02-01T11:59:47,037 Constructing wrapper function "logptop"... 2023-02-01T11:59:47,037 logptop(number,numh,ic,vvd,iarom,[natom]) 2023-02-01T11:59:47,037 Constructing wrapper function "deltaopt"... 2023-02-01T11:59:47,037 deltaopt(number,numh,ic,vvd,iarom,xopt,[natom]) 2023-02-01T11:59:47,037 Constructing wrapper function "indicator"... 2023-02-01T11:59:47,037 indicator(number,numh,ic,iarom,isc,itc,imet,iphyd,ialrin,iconjug,ihg2,ihg3,ihvic,ipg2,ipvic,[natom]) 2023-02-01T11:59:47,038 Constructing wrapper function "ppides"... 2023-02-01T11:59:47,038 ppides(maxv,methodpp) 2023-02-01T11:59:47,038 Constructing wrapper function "methodpp1"... 2023-02-01T11:59:47,038 methodpp1(nab,va,vb,nunit,[na,nb]) 2023-02-01T11:59:47,038 Constructing wrapper function "methodpp2"... 2023-02-01T11:59:47,038 methodpp2(nab,va,vb,nunit,[na,nb]) 2023-02-01T11:59:47,038 Constructing wrapper function "methodpp3"... 2023-02-01T11:59:47,038 methodpp3(nab,va,vb,nunit,[na,nb]) 2023-02-01T11:59:47,038 Constructing wrapper function "plides"... 2023-02-01T11:59:47,038 plides(maxp,maxl,methodpl) 2023-02-01T11:59:47,039 Constructing wrapper function "methodpl1"... 2023-02-01T11:59:47,039 methodpl1(nab,va,vb,nunit,[na,nb]) 2023-02-01T11:59:47,039 Constructing wrapper function "methodpl2"... 2023-02-01T11:59:47,039 methodpl2(nab,va,vb,nunit,[na,nb]) 2023-02-01T11:59:47,039 Constructing wrapper function "appdes"... 2023-02-01T11:59:47,039 appdes(seq,len_bn,np,iappn,xapp,[nseg,napp]) 2023-02-01T11:59:47,039 Constructing wrapper function "numbatom"... 2023-02-01T11:59:47,039 numbatom(natom,natoms,molname,iend,ierror) 2023-02-01T11:59:47,039 Constructing wrapper function "topmol"... 2023-02-01T11:59:47,040 topmol(natom,natoms,ibcut,ierror) 2023-02-01T11:59:47,040 Constructing wrapper function "readmol"... 2023-02-01T11:59:47,040 readmol(natom,numbers,intercons,numhs,nbonds,[natoms]) 2023-02-01T11:59:47,040 Constructing wrapper function "check"... 2023-02-01T11:59:47,040 check(ic,is,ierror,[natom]) 2023-02-01T11:59:47,040 Constructing wrapper function "constitution"... 2023-02-01T11:59:47,040 constitution(number,intercon,numh,[natom]) 2023-02-01T11:59:47,040 Constructing wrapper function "hbond"... 2023-02-01T11:59:47,040 hbond(number,intercon,numh,[natom]) 2023-02-01T11:59:47,041 Constructing wrapper function "weight"... 2023-02-01T11:59:47,041 weight(number,numh,[natom]) 2023-02-01T11:59:47,041 Constructing wrapper function "ringinf"... 2023-02-01T11:59:47,041 ringinf(number,ic,is,iarom,nring,nringatm,nringsize,nringarom,[natom]) 2023-02-01T11:59:47,041 Constructing wrapper function "printring"... 2023-02-01T11:59:47,041 printring(number,nring,nringatm,nringsize,nringarom,[natom]) 2023-02-01T11:59:47,041 Constructing wrapper function "ringpercept"... 2023-02-01T11:59:47,041 ringpercept(ic,is,nc,linc,nring,nringatm,nringsize,[natom]) 2023-02-01T11:59:47,041 Constructing wrapper function "ring"... 2023-02-01T11:59:47,041 ring(ic,is,nc,linc,nring,nringatm,nringsize,[natom]) 2023-02-01T11:59:47,042 Constructing wrapper function "ringarom"... 2023-02-01T11:59:47,042 ringarom(number,nring,nringatm,nringsize,nringarom,[natom]) 2023-02-01T11:59:47,042 Constructing wrapper function "groups"... 2023-02-01T11:59:47,042 groups(number,nring,nbond,nringatm,nringsize,nringarom,ic,numh,iarom,[natom]) 2023-02-01T11:59:47,042 Constructing wrapper function "fingerring"... 2023-02-01T11:59:47,042 fingerring(number,nbond,nring,nringatm,nringsize,nringarom,ic,numh,iarom,[natom]) 2023-02-01T11:59:47,042 Constructing wrapper function "numbrot"... 2023-02-01T11:59:47,597 numbrot(number,nring,nbond,nringatm,nringsize,nringarom,ic,is,numh,iarom,[natom]) 2023-02-01T11:59:47,597 Constructing wrapper function "bcuttop"... 2023-02-01T11:59:47,598 bcuttop(number,ic,sand,bd,es,rvd,alpha,vdw,[natom]) 2023-02-01T11:59:47,598 Constructing wrapper function "jacobi"... 2023-02-01T11:59:47,598 jacobi(n,a,d,[np]) 2023-02-01T11:59:47,598 Constructing wrapper function "moreau"... 2023-02-01T11:59:47,598 moreau(is,number,sand,es,rvd,alpha,vdw,[natom]) 2023-02-01T11:59:47,598 Constructing wrapper function "moran"... 2023-02-01T11:59:47,598 moran(is,number,sand,es,rvd,alpha,vdw,[natom]) 2023-02-01T11:59:47,598 Constructing wrapper function "geary"... 2023-02-01T11:59:47,599 geary(is,number,sand,es,rvd,alpha,vdw,[natom]) 2023-02-01T11:59:47,599 Constructing wrapper function "moreauw"... 2023-02-01T11:59:47,599 moreauw(is,w,ip,[natom]) 2023-02-01T11:59:47,599 Constructing wrapper function "moranw"... 2023-02-01T11:59:47,599 moranw(is,w,ip,[natom]) 2023-02-01T11:59:47,599 Constructing wrapper function "gearyw"... 2023-02-01T11:59:47,599 gearyw(is,w,ip,[natom]) 2023-02-01T11:59:47,599 Constructing wrapper function "trans"... 2023-02-01T11:59:47,600 trans(name,idm,nameout,ii) 2023-02-01T11:59:47,600 Constructing wrapper function "tpsa"... 2023-02-01T11:59:47,600 tpsa(number,ic,nbond,numh,iarom,nring,nringatm,nringsize,[natom]) 2023-02-01T11:59:47,600 Constructing COMMON block support for "aaindex"... 2023-02-01T11:59:47,600 aadb 2023-02-01T11:59:47,600 Wrote C/API module "_libprofeat" to file "build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeatmodule.c" 2023-02-01T11:59:47,600 Fortran 77 wrappers are saved to "build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeat-f2pywrappers.f" 2023-02-01T11:59:47,600 adding 'build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession/fortranobject.c' to sources. 2023-02-01T11:59:47,601 adding 'build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession' to include_dirs. 2023-02-01T11:59:47,601 creating build/src.linux-armv7l-3.9/build 2023-02-01T11:59:47,601 creating build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9 2023-02-01T11:59:47,601 creating build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro 2023-02-01T11:59:47,601 creating build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession 2023-02-01T11:59:47,601 copying /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/f2py/src/fortranobject.c -> build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession 2023-02-01T11:59:47,605 copying /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/f2py/src/fortranobject.h -> build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession 2023-02-01T11:59:47,607 adding 'build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeat-f2pywrappers.f' to sources. 2023-02-01T11:59:47,607 build_src: building npy-pkg config files 2023-02-01T11:59:47,608 /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools. 2023-02-01T11:59:47,608 warnings.warn( 2023-02-01T11:59:47,636 writing annopro.egg-info/PKG-INFO 2023-02-01T11:59:47,638 writing dependency_links to annopro.egg-info/dependency_links.txt 2023-02-01T11:59:47,640 writing entry points to annopro.egg-info/entry_points.txt 2023-02-01T11:59:47,642 writing requirements to annopro.egg-info/requires.txt 2023-02-01T11:59:47,643 writing top-level names to annopro.egg-info/top_level.txt 2023-02-01T11:59:47,654 /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/setuptools/command/egg_info.py:655: SetuptoolsDeprecationWarning: Custom 'build_py' does not implement 'get_data_files_without_manifest'. 2023-02-01T11:59:47,654 Please extend command classes from setuptools instead of distutils. 2023-02-01T11:59:47,654 warnings.warn( 2023-02-01T11:59:47,657 unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options 2023-02-01T11:59:47,658 unifing config_cc, config, build_clib, build_ext, build commands --compiler options 2023-02-01T11:59:47,662 reading manifest file 'annopro.egg-info/SOURCES.txt' 2023-02-01T11:59:47,664 reading manifest template 'MANIFEST.in' 2023-02-01T11:59:47,665 adding license file 'LICENSE' 2023-02-01T11:59:47,668 writing manifest file 'annopro.egg-info/SOURCES.txt' 2023-02-01T11:59:47,825 Getting requirements to build wheel: finished with status 'done' 2023-02-01T11:59:47,841 Installing backend dependencies: started 2023-02-01T11:59:47,842 Running command pip subprocess to install backend dependencies 2023-02-01T11:59:49,077 Using pip 22.3 from /usr/local/lib/python3.9/dist-packages/pip (python 3.9) 2023-02-01T11:59:49,497 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2023-02-01T11:59:49,521 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-02-01T11:59:49,968 Collecting wheel 2023-02-01T11:59:49,987 Using cached https://www.piwheels.org/simple/wheel/wheel-0.38.4-py3-none-any.whl (36 kB) 2023-02-01T11:59:52,037 Installing collected packages: wheel 2023-02-01T11:59:52,210 Creating /tmp/pip-build-env-68wpvors/normal/bin 2023-02-01T11:59:52,212 changing mode of /tmp/pip-build-env-68wpvors/normal/bin/wheel to 755 2023-02-01T11:59:52,225 Successfully installed wheel-0.38.4 2023-02-01T11:59:52,240 [notice] A new release of pip available: 22.3 -> 23.0 2023-02-01T11:59:52,241 [notice] To update, run: python3 -m pip install --upgrade pip 2023-02-01T11:59:52,459 Installing backend dependencies: finished with status 'done' 2023-02-01T11:59:52,470 Created temporary directory: /tmp/pip-modern-metadata-7vj25aaa 2023-02-01T11:59:52,528 Preparing metadata (pyproject.toml): started 2023-02-01T11:59:52,528 Running command Preparing metadata (pyproject.toml) 2023-02-01T11:59:53,960 running dist_info 2023-02-01T11:59:53,962 running build_src 2023-02-01T11:59:53,963 build_src 2023-02-01T11:59:53,963 building extension "annopro.data_procession._libprofeat" sources 2023-02-01T11:59:53,963 f2py options: [] 2023-02-01T11:59:53,964 adding 'build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession/fortranobject.c' to sources. 2023-02-01T11:59:53,964 adding 'build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession' to include_dirs. 2023-02-01T11:59:54,073 adding 'build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeat-f2pywrappers.f' to sources. 2023-02-01T11:59:54,073 build_src: building npy-pkg config files 2023-02-01T11:59:54,074 /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools. 2023-02-01T11:59:54,074 warnings.warn( 2023-02-01T11:59:54,097 creating /tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info 2023-02-01T11:59:54,102 writing /tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info/PKG-INFO 2023-02-01T11:59:54,104 writing dependency_links to /tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info/dependency_links.txt 2023-02-01T11:59:54,107 writing entry points to /tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info/entry_points.txt 2023-02-01T11:59:54,108 writing requirements to /tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info/requires.txt 2023-02-01T11:59:54,109 writing top-level names to /tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info/top_level.txt 2023-02-01T11:59:54,111 writing manifest file '/tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info/SOURCES.txt' 2023-02-01T11:59:54,121 /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/setuptools/command/egg_info.py:655: SetuptoolsDeprecationWarning: Custom 'build_py' does not implement 'get_data_files_without_manifest'. 2023-02-01T11:59:54,121 Please extend command classes from setuptools instead of distutils. 2023-02-01T11:59:54,121 warnings.warn( 2023-02-01T11:59:54,125 unifing config_cc, config, build_clib, build_ext, build commands --compiler options 2023-02-01T11:59:54,125 unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options 2023-02-01T11:59:54,130 reading manifest file '/tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info/SOURCES.txt' 2023-02-01T11:59:54,132 reading manifest template 'MANIFEST.in' 2023-02-01T11:59:54,133 adding license file 'LICENSE' 2023-02-01T11:59:54,135 writing manifest file '/tmp/pip-modern-metadata-7vj25aaa/annopro.egg-info/SOURCES.txt' 2023-02-01T11:59:54,140 creating '/tmp/pip-modern-metadata-7vj25aaa/annopro-0.1rc2.dist-info' 2023-02-01T11:59:54,330 Preparing metadata (pyproject.toml): finished with status 'done' 2023-02-01T11:59:54,337 Source in /tmp/pip-wheel-5im9bfri/annopro_8b46cd2ad97843de96f5ad7bc0d3cb8d has version 0.1rc2, which satisfies requirement annopro==0.1rc2 from https://files.pythonhosted.org/packages/1d/92/7e62fbc6fd01ec9774e081c1c6fedef565ea78aec258a29f7cf4369e73ab/annopro-0.1rc2.tar.gz 2023-02-01T11:59:54,338 Removed annopro==0.1rc2 from https://files.pythonhosted.org/packages/1d/92/7e62fbc6fd01ec9774e081c1c6fedef565ea78aec258a29f7cf4369e73ab/annopro-0.1rc2.tar.gz from build tracker '/tmp/pip-build-tracker-_ac7vcj2' 2023-02-01T11:59:54,344 Created temporary directory: /tmp/pip-unpack-gyxwnti7 2023-02-01T11:59:54,345 Building wheels for collected packages: annopro 2023-02-01T11:59:54,349 Created temporary directory: /tmp/pip-wheel-iw58812l 2023-02-01T11:59:54,350 Destination directory: /tmp/pip-wheel-iw58812l 2023-02-01T11:59:54,352 Building wheel for annopro (pyproject.toml): started 2023-02-01T11:59:54,353 Running command Building wheel for annopro (pyproject.toml) 2023-02-01T11:59:55,536 running bdist_wheel 2023-02-01T11:59:55,541 running build 2023-02-01T11:59:55,541 running config_cc 2023-02-01T11:59:55,541 unifing config_cc, config, build_clib, build_ext, build commands --compiler options 2023-02-01T11:59:55,541 running config_fc 2023-02-01T11:59:55,541 unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options 2023-02-01T11:59:55,542 running build_src 2023-02-01T11:59:55,542 build_src 2023-02-01T11:59:55,542 building extension "annopro.data_procession._libprofeat" sources 2023-02-01T11:59:55,542 f2py options: [] 2023-02-01T11:59:55,542 adding 'build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession/fortranobject.c' to sources. 2023-02-01T11:59:55,542 adding 'build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession' to include_dirs. 2023-02-01T11:59:55,643 adding 'build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeat-f2pywrappers.f' to sources. 2023-02-01T11:59:55,643 build_src: building npy-pkg config files 2023-02-01T11:59:55,667 running build_py 2023-02-01T11:59:55,676 creating build/lib.linux-armv7l-cpython-39 2023-02-01T11:59:55,676 creating build/lib.linux-armv7l-cpython-39/annopro 2023-02-01T11:59:55,677 copying ./annopro/__main__.py -> build/lib.linux-armv7l-cpython-39/annopro 2023-02-01T11:59:55,679 copying ./annopro/resources.py -> build/lib.linux-armv7l-cpython-39/annopro 2023-02-01T11:59:55,681 copying ./annopro/_version.py -> build/lib.linux-armv7l-cpython-39/annopro 2023-02-01T11:59:55,683 copying ./annopro/__init__.py -> build/lib.linux-armv7l-cpython-39/annopro 2023-02-01T11:59:55,684 copying ./annopro/prediction.py -> build/lib.linux-armv7l-cpython-39/annopro 2023-02-01T11:59:55,687 creating build/lib.linux-armv7l-cpython-39/annopro/data_procession 2023-02-01T11:59:55,688 copying ./annopro/data_procession/profeat.py -> build/lib.linux-armv7l-cpython-39/annopro/data_procession 2023-02-01T11:59:55,690 copying ./annopro/data_procession/utils.py -> build/lib.linux-armv7l-cpython-39/annopro/data_procession 2023-02-01T11:59:55,692 copying ./annopro/data_procession/data_predict.py -> build/lib.linux-armv7l-cpython-39/annopro/data_procession 2023-02-01T11:59:55,694 copying ./annopro/data_procession/__init__.py -> build/lib.linux-armv7l-cpython-39/annopro/data_procession 2023-02-01T11:59:55,697 creating build/lib.linux-armv7l-cpython-39/annopro/focal_loss 2023-02-01T11:59:55,698 copying ./annopro/focal_loss/_binary_focal_loss.py -> build/lib.linux-armv7l-cpython-39/annopro/focal_loss 2023-02-01T11:59:55,701 copying ./annopro/focal_loss/_categorical_focal_loss.py -> build/lib.linux-armv7l-cpython-39/annopro/focal_loss 2023-02-01T11:59:55,703 copying ./annopro/focal_loss/__init__.py -> build/lib.linux-armv7l-cpython-39/annopro/focal_loss 2023-02-01T11:59:55,705 creating build/lib.linux-armv7l-cpython-39/annopro/data_procession/_libprofeatconfig 2023-02-01T11:59:55,706 copying ./annopro/data_procession/_libprofeatconfig/__init__.py -> build/lib.linux-armv7l-cpython-39/annopro/data_procession/_libprofeatconfig 2023-02-01T11:59:55,708 creating build/lib.linux-armv7l-cpython-39/annopro/focal_loss/utils 2023-02-01T11:59:55,709 copying ./annopro/focal_loss/utils/__init__.py -> build/lib.linux-armv7l-cpython-39/annopro/focal_loss/utils 2023-02-01T11:59:55,711 copying ./annopro/focal_loss/utils/validation.py -> build/lib.linux-armv7l-cpython-39/annopro/focal_loss/utils 2023-02-01T11:59:55,713 copying ./annopro/data_procession/_libprofeatconfig/input-ligand.sdf -> build/lib.linux-armv7l-cpython-39/annopro/data_procession/_libprofeatconfig 2023-02-01T11:59:55,718 copying ./annopro/data_procession/_libprofeatconfig/input-aaindexdb.dat -> build/lib.linux-armv7l-cpython-39/annopro/data_procession/_libprofeatconfig 2023-02-01T11:59:55,736 copying ./annopro/data_procession/_libprofeatconfig/input-ppi.dat -> build/lib.linux-armv7l-cpython-39/annopro/data_procession/_libprofeatconfig 2023-02-01T11:59:55,737 copying ./annopro/data_procession/_libprofeatconfig/input-pli.dat -> build/lib.linux-armv7l-cpython-39/annopro/data_procession/_libprofeatconfig 2023-02-01T11:59:55,739 copying ./annopro/data_procession/_libprofeatconfig/input-param.dat -> build/lib.linux-armv7l-cpython-39/annopro/data_procession/_libprofeatconfig 2023-02-01T11:59:55,745 UPDATING build/lib.linux-armv7l-cpython-39/annopro/_version.py 2023-02-01T11:59:55,745 set build/lib.linux-armv7l-cpython-39/annopro/_version.py to '0.1rc2' 2023-02-01T11:59:55,745 running build_ext 2023-02-01T11:59:55,757 customize UnixCCompiler 2023-02-01T11:59:55,758 customize UnixCCompiler using cmd_build_ext 2023-02-01T11:59:55,805 get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor']' 2023-02-01T11:59:55,805 customize Gnu95FCompiler 2023-02-01T11:59:55,821 Found executable /usr/bin/gfortran 2023-02-01T11:59:55,890 customize Gnu95FCompiler 2023-02-01T11:59:55,943 customize Gnu95FCompiler using cmd_build_ext 2023-02-01T11:59:55,944 building 'annopro.data_procession._libprofeat' extension 2023-02-01T11:59:55,944 compiling C sources 2023-02-01T11:59:55,945 C compiler: arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC 2023-02-01T11:59:55,946 creating build/temp.linux-armv7l-cpython-39/build 2023-02-01T11:59:55,946 creating build/temp.linux-armv7l-cpython-39/build/src.linux-armv7l-3.9 2023-02-01T11:59:55,947 creating build/temp.linux-armv7l-cpython-39/build/src.linux-armv7l-3.9/annopro 2023-02-01T11:59:55,947 creating build/temp.linux-armv7l-cpython-39/build/src.linux-armv7l-3.9/annopro/data_procession 2023-02-01T11:59:55,948 creating build/temp.linux-armv7l-cpython-39/build/src.linux-armv7l-3.9/build 2023-02-01T11:59:55,949 creating build/temp.linux-armv7l-cpython-39/build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9 2023-02-01T11:59:55,950 creating build/temp.linux-armv7l-cpython-39/build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro 2023-02-01T11:59:55,950 creating build/temp.linux-armv7l-cpython-39/build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession 2023-02-01T11:59:55,951 compile options: '-Ibuild/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession -I/tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include -I/usr/include/python3.9 -c' 2023-02-01T11:59:55,995 arm-linux-gnueabihf-gcc: build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeatmodule.c 2023-02-01T11:59:55,995 arm-linux-gnueabihf-gcc: build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession/fortranobject.c 2023-02-01T11:59:56,423 In file included from /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822, 2023-02-01T11:59:56,424 from /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2023-02-01T11:59:56,424 from /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include/numpy/arrayobject.h:4, 2023-02-01T11:59:56,424 from build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession/fortranobject.h:13, 2023-02-01T11:59:56,424 from build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeatmodule.c:16: 2023-02-01T11:59:56,424 /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2023-02-01T11:59:56,425 17 | #warning "Using deprecated NumPy API, disable it with " \ 2023-02-01T11:59:56,425 | ^~~~~~~ 2023-02-01T11:59:56,433 In file included from /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822, 2023-02-01T11:59:56,433 from /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2023-02-01T11:59:56,433 from /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include/numpy/arrayobject.h:4, 2023-02-01T11:59:56,433 from build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession/fortranobject.h:13, 2023-02-01T11:59:56,434 from build/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession/fortranobject.c:2: 2023-02-01T11:59:56,434 /tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2023-02-01T11:59:56,434 17 | #warning "Using deprecated NumPy API, disable it with " \ 2023-02-01T11:59:56,434 | ^~~~~~~ 2023-02-01T11:59:57,093 build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeatmodule.c:142:12: warning: ‘f2py_size’ defined but not used [-Wunused-function] 2023-02-01T11:59:57,093 142 | static int f2py_size(PyArrayObject* var, ...) 2023-02-01T11:59:57,094 | ^~~~~~~~~ 2023-02-01T12:00:07,998 compiling Fortran sources 2023-02-01T12:00:07,999 Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -O3 -funroll-loops 2023-02-01T12:00:07,999 Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops 2023-02-01T12:00:07,999 Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops 2023-02-01T12:00:08,000 creating build/temp.linux-armv7l-cpython-39/annopro 2023-02-01T12:00:08,000 creating build/temp.linux-armv7l-cpython-39/annopro/data_procession 2023-02-01T12:00:08,001 compile options: '-Ibuild/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession -I/tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include -I/usr/include/python3.9 -c' 2023-02-01T12:00:08,006 extra f77 options: '-w' 2023-02-01T12:00:08,006 gfortran:f77: build/src.linux-armv7l-3.9/annopro/data_procession/_libprofeat-f2pywrappers.f 2023-02-01T12:00:08,006 extra f77 options: '-w' 2023-02-01T12:00:08,006 gfortran:f77: ./annopro/data_procession/_libprofeat.f 2023-02-01T12:00:08,833 ./annopro/data_procession/_libprofeat.f:3562:35: 2023-02-01T12:00:08,833 3562 | call ringinf(natom,number,ic,is,iarom, 2023-02-01T12:00:08,833 | 1 2023-02-01T12:00:08,833 Error: Rank mismatch in argument ‘is’ at (1) (scalar and rank-2) 2023-02-01T12:00:08,834 ./annopro/data_procession/_libprofeat.f:3587:27: 2023-02-01T12:00:08,834 3587 | & ,nringatm,nringsize,nringarom,ic,is,numh,iarom) 2023-02-01T12:00:08,834 | 1 2023-02-01T12:00:08,834 Error: Rank mismatch in argument ‘nringarom’ at (1) (scalar and rank-1) 2023-02-01T12:00:08,837 ./annopro/data_procession/_libprofeat.f:7210:32: 2023-02-01T12:00:08,838 7210 | call ringpercept(natom,ic,is,nc,linc,nring,nringatm,nringsize) 2023-02-01T12:00:08,838 | 1 2023-02-01T12:00:08,838 Error: Rank mismatch in argument ‘is’ at (1) (rank-2 and scalar) 2023-02-01T12:00:08,864 error: Command "/usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -O3 -funroll-loops -Ibuild/src.linux-armv7l-3.9/build/src.linux-armv7l-3.9/annopro/data_procession -I/tmp/pip-build-env-68wpvors/overlay/lib/python3.9/site-packages/numpy/core/include -I/usr/include/python3.9 -c -c ./annopro/data_procession/_libprofeat.f -o build/temp.linux-armv7l-cpython-39/annopro/data_procession/_libprofeat.o -w" failed with exit status 1 2023-02-01T12:00:09,028 ERROR: [present-rich] Building wheel for annopro (pyproject.toml) exited with 1 2023-02-01T12:00:09,048 [bold magenta]full command[/]: [blue]/usr/bin/python3 /usr/local/lib/python3.9/dist-packages/pip/_vendor/pep517/in_process/_in_process.py build_wheel /tmp/tmptaqc2j14[/] 2023-02-01T12:00:09,048 [bold magenta]cwd[/]: /tmp/pip-wheel-5im9bfri/annopro_8b46cd2ad97843de96f5ad7bc0d3cb8d 2023-02-01T12:00:09,048 Building wheel for annopro (pyproject.toml): finished with status 'error' 2023-02-01T12:00:09,051 ERROR: Failed building wheel for annopro 2023-02-01T12:00:09,053 Failed to build annopro 2023-02-01T12:00:09,054 ERROR: Failed to build one or more wheels 2023-02-01T12:00:09,055 Exception information: 2023-02-01T12:00:09,055 Traceback (most recent call last): 2023-02-01T12:00:09,055 File "/usr/local/lib/python3.9/dist-packages/pip/_internal/cli/base_command.py", line 160, in exc_logging_wrapper 2023-02-01T12:00:09,055 status = run_func(*args) 2023-02-01T12:00:09,055 File "/usr/local/lib/python3.9/dist-packages/pip/_internal/cli/req_command.py", line 247, in wrapper 2023-02-01T12:00:09,055 return func(self, options, args) 2023-02-01T12:00:09,055 File "/usr/local/lib/python3.9/dist-packages/pip/_internal/commands/wheel.py", line 201, in run 2023-02-01T12:00:09,055 raise CommandError("Failed to build one or more wheels") 2023-02-01T12:00:09,055 pip._internal.exceptions.CommandError: Failed to build one or more wheels 2023-02-01T12:00:09,058 Removed build tracker: '/tmp/pip-build-tracker-_ac7vcj2'