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conda-forge / pymol-open-source-feedstock

A conda-smithy repository for pymol-open-source.
BSD 3-Clause "New" or "Revised" License
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Molfile plugins not compiled in #6

Closed awacha closed 3 years ago

awacha commented 3 years ago

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 commented 3 years ago

Pull request #7 should resolve this.