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Molfile plugins not compiled in #6

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awacha opened this issue Feb 11, 2021 · 1 comment · Fixed by #7
Closed

Molfile plugins not compiled in #6

awacha opened this issue Feb 11, 2021 · 1 comment · Fixed by #7

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@awacha
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awacha commented Feb 11, 2021

Issue: .gro files are not supported, probably because the molfile plugins are not compiled in, as they need libnetcdf. A "{{ pin_compatible('libnetcdf', max_pin='x.x') }}" in the dependencies should do the trick (I do the same in my pymol-open-source build in the "awacha" anaconda channel). The pinning is needed because the so version changed recently.


Environment (conda list):
$ conda list
_libgcc_mutex             0.1                 conda_forge    conda-forge
_openmp_mutex             4.5                       1_gnu    conda-forge
ca-certificates           2021.1.19            h06a4308_0  
certifi                   2020.12.5        py39h06a4308_0  
dbus                      1.13.18              hb2f20db_0  
expat                     2.2.10               he6710b0_2  
fontconfig                2.13.1               h6c09931_0  
freetype                  2.10.4               h5ab3b9f_0  
glew                      2.1.0                h9c3ff4c_2    conda-forge
glib                      2.66.1               h92f7085_0  
glm                       0.9.9.4              hc9558a2_0    conda-forge
gst-plugins-base          1.14.0               h8213a91_2  
gstreamer                 1.14.0               h28cd5cc_2  
icu                       58.2                 he6710b0_3  
jpeg                      9b                   h024ee3a_2  
ld_impl_linux-64          2.33.1               h53a641e_7  
libblas                   3.9.0                8_openblas    conda-forge
libcblas                  3.9.0                8_openblas    conda-forge
libedit                   3.1.20191231         h14c3975_1  
libffi                    3.3                  he6710b0_2  
libgcc-ng                 9.3.0               h2828fa1_18    conda-forge
libgfortran-ng            9.3.0               hff62375_18    conda-forge
libgfortran5              9.3.0               hff62375_18    conda-forge
libglu                    9.0.0                hf484d3e_1  
libgomp                   9.3.0               h2828fa1_18    conda-forge
liblapack                 3.9.0                8_openblas    conda-forge
libopenblas               0.3.12          pthreads_h4812303_1    conda-forge
libpng                    1.6.37               hbc83047_0  
libstdcxx-ng              9.3.0               h6de172a_18    conda-forge
libuuid                   1.0.3                h1bed415_2  
libxcb                    1.14                 h7b6447c_0  
libxml2                   2.9.10               hb55368b_3  
ncurses                   6.2                  he6710b0_1  
numpy                     1.20.1           py39hdbf815f_0    conda-forge
openssl                   1.1.1i               h27cfd23_0  
pcre                      8.44                 he6710b0_0  
pip                       20.3.3           py39h06a4308_0  
pymol-open-source         2.4.0            py39h20a8f2e_3    conda-forge
pyqt                      5.9.2            py39h2531618_6  
python                    3.9.1                hdb3f193_2  
python_abi                3.9                      1_cp39    conda-forge
qt                        5.9.7                h5867ecd_1  
readline                  8.1                  h27cfd23_0  
setuptools                52.0.0           py39h06a4308_0  
sip                       4.19.13          py39h2531618_0  
sqlite                    3.33.0               h62c20be_0  
tk                        8.6.10               hbc83047_0  
tzdata                    2020f                h52ac0ba_0  
wheel                     0.36.2             pyhd3eb1b0_0  
xorg-kbproto              1.0.7             h7f98852_1002    conda-forge
xorg-libx11               1.6.12               h516909a_0    conda-forge
xorg-libxext              1.3.4                h516909a_0    conda-forge
xorg-xextproto            7.3.0             h7f98852_1002    conda-forge
xorg-xproto               7.0.31            h27cfd23_1007  
xz                        5.2.5                h7b6447c_0  
zlib                      1.2.11               h7b6447c_3  


Details about conda and system ( conda info ):
$ conda info

     active environment : pymol
    active env location : /opt/miniconda3/envs/pymol
            shell level : 1
       user config file : /home/wachaandras/.condarc
 populated config files : /home/wachaandras/.condarc
          conda version : 4.9.2
    conda-build version : 3.21.4
         python version : 3.8.5.final.0
       virtual packages : __glibc=2.33=0
                          __unix=0=0
                          __archspec=1=x86_64
       base environment : /opt/miniconda3  (writable)
           channel URLs : https://repo.anaconda.com/pkgs/main/linux-64
                          https://repo.anaconda.com/pkgs/main/noarch
                          https://repo.anaconda.com/pkgs/r/linux-64
                          https://repo.anaconda.com/pkgs/r/noarch
                          https://conda.anaconda.org/awacha/linux-64
                          https://conda.anaconda.org/awacha/noarch
                          https://conda.anaconda.org/conda-forge/linux-64
                          https://conda.anaconda.org/conda-forge/noarch
                          https://levinthal:paradox@conda.graylab.jhu.edu/linux-64
                          https://levinthal:paradox@conda.graylab.jhu.edu/noarch
          package cache : /opt/miniconda3/pkgs
                          /home/wachaandras/.conda/pkgs
       envs directories : /opt/miniconda3/envs
                          /home/wachaandras/.conda/envs
               platform : linux-64
             user-agent : conda/4.9.2 requests/2.25.1 CPython/3.8.5 Linux/5.10.15-arch1-1 arch/rolling glibc/2.33
                UID:GID : 1000000:1000
             netrc file : None
           offline mode : False

@awacha
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awacha commented Feb 11, 2021

Pull request #7 should resolve this.

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