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lhilbert / EnhancerShoeBox

Molecular Dynamics Simulations of Enhancer-Promoter Interactions in a Model Shoe Box
MIT License
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Creating Conda environment for shoebox simulations #14

Open ezingrebe opened 4 months ago

ezingrebe commented 4 months ago

In the README.md file, one can read:

"In case the Python script can't see LAMMPS or some other problem arises after finishing the next steps too, an alternative is to use the YML file polymersimulations.yml to create a conda environment called polymersimulations with versions of Python and other packages as given in the file (a little bit old).

conda env create -f polymersimulations.yml"

However, the given command and the yml file seem not to function (generate error messages). I suggest to remove this option from the README.md and stay by the manual creation of 'polymersimulations' Conda environment with all required functionalities.

lhilbert commented 2 months ago

Can you put the error message? Keeping the option of a Conda environment that is "ready to work" might be nice for users. Alternatively, we need a part of the documentation of how exactly the Conda environment and the required functionalities are set up.

ezingrebe commented 1 month ago

ERROR MESSAGE:

Channels:

LibMambaUnsatisfiableError: Encountered problems while solving:

Could not solve for environment specs The following packages are incompatible ├─ abseil-cpp 20211102.0 is requested and can be installed; ├─ arrow-cpp 11.0.0 is installable with the potential options │ ├─ arrow-cpp 11.0.0 would require │ │ └─ libarrow [11.0.0 h10ac928_33_cpu|11.0.0 h1ed0495_37_cpu|...|11.0.0 hf8fed9e_34_cuda], which requires │ │ └─ libabseil >=20230125.3,<20230126.0a0 , which requires │ │ └─ abseil-cpp 20230125.3 , which conflicts with any installable versions previously reported; │ ├─ arrow-cpp 11.0.0 would require │ │ └─ libarrow [11.0.0 h2c3b227_3_cpu|11.0.0 h2ebd325_5_cpu|...|11.0.0 hf9c26a6_0_cpu], which requires │ │ └─ libabseil 20220623.0 cxx17, which requires │ │ └─ abseil-cpp 20220623.0 , which conflicts with any installable versions previously reported; │ ├─ arrow-cpp 11.0.0 would require │ │ └─ libarrow [11.0.0 h07599e3_17_cuda|11.0.0 h07599e3_18_cuda|...|11.0.0 hea8ae9b_11_cpu], which requires │ │ └─ libabseil 20230125 cxx17, which requires │ │ └─ abseil-cpp 20230125.0 , which conflicts with any installable versions previously reported; │ ├─ arrow-cpp 11.0.0 would require │ │ └─ libarrow [11.0.0 h1496dd7_25_cuda|11.0.0 h6564b11_20_cpu|...|11.0.0 hed73b3e_24_cpu], which requires │ │ └─ libabseil >=20230125.2,<20230126.0a0 but there are no viable options │ │ ├─ libabseil 20230125.2 would require │ │ │ └─ abseil-cpp 20230125.2 , which conflicts with any installable versions previously reported; │ │ └─ libabseil 20230125.3, which cannot be installed (as previously explained); │ ├─ arrow-cpp 11.0.0 would require │ │ └─ libarrow [11.0.0 h1935d02_38_cpu|11.0.0 hd3e26bc_38_cuda], which requires │ │ └─ libabseil >=20230802.0,<20230803.0a0 but there are no viable options │ │ ├─ libabseil 20230802.0 would require │ │ │ └─ abseil-cpp 20230802.0 , which conflicts with any installable versions previously reported; │ │ └─ libabseil 20230802.1 would require │ │ └─ abseil-cpp 20230802.1 , which conflicts with any installable versions previously reported; │ ├─ arrow-cpp 11.0.0 would require │ │ └─ libarrow [11.0.0 h0f80be4_41_cpu|11.0.0 h17daa2b_56_cuda|...|11.0.0 hf328b5a_49_cuda], which requires │ │ └─ libabseil >=20230802.1,<20230803.0a0 , which cannot be installed (as previously explained); │ ├─ arrow-cpp 11.0.0 would require │ │ └─ grpc-cpp >=1.48.2,<1.49.0a0 with the potential options │ │ ├─ grpc-cpp 1.48.2, which can be installed; │ │ └─ grpc-cpp 1.48.2 would require │ │ └─ abseil-cpp >=20230802.0,<20230802.1.0a0 , which conflicts with any installable versions previously reported; │ └─ arrow-cpp 11.0.0 would require │ └─ libthrift >=0.15.0,<0.16.0a0 with the potential options │ ├─ libthrift 0.15.0, which can be installed; │ └─ libthrift 0.15.0 would require │ └─ libevent >=2.1.12,<2.1.13.0a0 , which can be installed; ├─ aws-c-common 0.6.8 is requested and can be installed; ├─ aws-sdk-cpp 1.8.185 is installable with the potential options │ ├─ aws-sdk-cpp 1.8.185 would require │ │ └─ aws-c-common >=0.4.57,<0.4.58.0a0 , which conflicts with any installable versions previously reported; │ └─ aws-sdk-cpp 1.8.185 would require │ └─ libcurl >=7.88.1,<9.0a0 with the potential options │ ├─ libcurl [7.88.1|8.0.0|...|8.4.0], which can be installed; │ ├─ libcurl [8.5.0|8.6.0|...|8.9.1] would require │ │ └─ libnghttp2 >=1.58.0,<2.0a0 with the potential options │ │ ├─ libnghttp2 1.58.0 would require │ │ │ └─ c-ares >=1.21.0,<2.0a0 , which can be installed; │ │ └─ libnghttp2 1.58.0 would require │ │ └─ c-ares >=1.23.0,<2.0a0 , which can be installed; │ └─ libcurl [8.4.0|8.5.0|8.7.1] would require │ └─ libnghttp2 >=1.57.0 with the potential options │ ├─ libnghttp2 1.58.0, which can be installed (as previously explained); │ ├─ libnghttp2 1.58.0, which can be installed (as previously explained); │ └─ libnghttp2 1.57.0 would require │ └─ c-ares >=1.19.1,<2.0a0 , which can be installed; ├─ c-ares 1.18.1 is not installable because it conflicts with any installable versions previously reported; ├─ expat 2.4.9 is requested and can be installed; ├─ fontconfig 2.14.0 is requested and can be installed; ├─ glib 2.74.0 is requested and can be installed; ├─ grpc-cpp 1.46.1 is not installable because it conflicts with any installable versions previously reported; ├─ icu 70.1 is requested and can be installed; ├─ libcurl 7.85.0 is not installable because it conflicts with any installable versions previously reported; ├─ libevent 2.1.10 is not installable because it conflicts with any installable versions previously reported; ├─ libffi 3.4.2 is requested and can be installed; ├─ libgfortran 5.0.0 does not exist (perhaps a typo or a missing channel); ├─ libpng 1.6.38 is requested and can be installed; ├─ libsqlite 3.39.3 is requested and can be installed; ├─ libthrift 0.13.0 is not installable because it conflicts with any installable versions previously reported; ├─ libxcb 1.13 is requested and can be installed; ├─ ncurses 6.3 is requested and can be installed; ├─ openssl 1.1.1w is requested and can be installed; ├─ pyqt 5.15.7* is installable with the potential options │ ├─ pyqt 5.15.7 would require │ │ └─ sip >=6.6.2,<6.7.0a0 with the potential options │ │ ├─ sip 6.6.2, which can be installed; │ │ ├─ sip [6.6.2|6.7.1|6.7.2] would require │ │ │ └─ python_abi 3.7. _cp37m, which can be installed; │ │ ├─ sip [6.6.2|6.7.1|...|6.7.9] would require │ │ │ └─ python_abi 3.8. _cp38, which can be installed; │ │ ├─ sip [6.6.2|6.7.1|...|6.7.9] would require │ │ │ └─ python_abi 3.9. _cp39, which can be installed; │ │ ├─ sip [6.6.2|6.7.10|...|6.7.9] would require │ │ │ └─ python >=3.11,<3.12.0a0 with the potential options │ │ │ ├─ python [3.11.0|3.11.1|...|3.9.16] would require │ │ │ │ ├─ libsqlite >=3.40.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ ├─ pypy3.8 7.3.11. but there are no viable options │ │ │ │ │ ├─ pypy3.8 7.3.11 would require │ │ │ │ │ │ └─ libsqlite >=3.40.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ │ ├─ pypy3.8 7.3.11 would require │ │ │ │ │ │ └─ libsqlite >=3.41.2,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ │ └─ pypy3.8 7.3.11 would require │ │ │ │ │ └─ libsqlite >=3.43.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ └─ pypy3.9 7.3.11. but there are no viable options │ │ │ │ ├─ pypy3.9 7.3.11 would require │ │ │ │ │ └─ libsqlite >=3.40.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ └─ pypy3.9 7.3.11 would require │ │ │ │ └─ libsqlite >=3.41.2,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.11.4|3.8.17|3.9.17] would require │ │ │ │ └─ libsqlite >=3.42.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.11.5|3.11.6|...|3.9.18] would require │ │ │ │ ├─ libsqlite >=3.43.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ └─ pypy3.9 [7.3.12. |7.3.13. ] but there are no viable options │ │ │ │ ├─ pypy3.9 [7.3.12|7.3.13] would require │ │ │ │ │ └─ libsqlite >=3.43.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ └─ pypy3.9 7.3.13 would require │ │ │ │ └─ libsqlite >=3.43.2,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.11.7|3.12.1|3.8.18|3.9.18] would require │ │ │ │ ├─ libsqlite >=3.44.2,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ └─ pypy3.9 7.3.15. but there are no viable options │ │ │ │ ├─ pypy3.9 7.3.15 would require │ │ │ │ │ └─ libsqlite >=3.44.2,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ └─ pypy3.9 7.3.15 would require │ │ │ │ └─ libsqlite >=3.45.1,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.11.0|3.11.2|...|3.9.19] would require │ │ │ │ └─ ncurses >=6.4,<7.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python 3.11.0 would require │ │ │ │ └─ libsqlite >=3.39.4,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.11.8|3.12.2] would require │ │ │ │ └─ libsqlite >=3.45.1,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python 3.11.9 would require │ │ │ │ └─ libsqlite >=3.45.3,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ └─ python 3.11.0, which can be installed; │ │ ├─ sip 6.6.2 would require │ │ │ └─ python >=3.7,<3.8.0a0 with the potential options │ │ │ ├─ python [3.7.0|3.7.1|...|3.9.0] would require │ │ │ │ └─ libffi [>=3.2.1,<3.3.0a0 |>=3.2.1,<3.3a0 ], which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.10.6|3.7.10|...|3.9.7] would require │ │ │ │ ├─ libffi >=3.3,<3.4.0a0 , which conflicts with any installable versions previously reported; │ │ │ │ └─ pypy3.7 [7.3.3. |7.3.4. ], which requires │ │ │ │ └─ libffi >=3.3,<3.4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.7.10|3.7.12|3.7.15|3.7.16], which can be installed; │ │ │ └─ python [3.7.10|3.7.12|...|3.9.9] would require │ │ │ └─ openssl >=3.0.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ ├─ sip [6.6.2|6.7.12] would require │ │ │ └─ python >=3.8,<3.9.0a0 with the potential options │ │ │ ├─ python [3.7.0|3.7.1|...|3.9.0], which cannot be installed (as previously explained); │ │ │ ├─ python [3.10.6|3.7.10|...|3.9.7], which cannot be installed (as previously explained); │ │ │ ├─ python [3.7.10|3.7.12|...|3.9.9], which cannot be installed (as previously explained); │ │ │ ├─ python [3.8.10|3.8.12|...|3.8.5], which can be installed; │ │ │ ├─ python [3.8.13|3.9.12] would require │ │ │ │ └─ openssl >=3.0.2,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.11.0|3.11.1|...|3.9.16], which cannot be installed (as previously explained); │ │ │ ├─ python [3.11.4|3.8.17|3.9.17], which cannot be installed (as previously explained); │ │ │ ├─ python [3.11.5|3.11.6|...|3.9.18], which cannot be installed (as previously explained); │ │ │ ├─ python [3.11.7|3.12.1|3.8.18|3.9.18], which cannot be installed (as previously explained); │ │ │ ├─ python [3.12.3|3.8.19|3.9.19] would require │ │ │ │ └─ libsqlite >=3.45.2,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ └─ python [3.11.0|3.11.2|...|3.9.19], which cannot be installed (as previously explained); │ │ └─ sip [6.6.2|6.7.12] would require │ │ └─ python >=3.9,<3.10.0a0 with the potential options │ │ ├─ python [3.7.0|3.7.1|...|3.9.0], which cannot be installed (as previously explained); │ │ ├─ python [3.10.6|3.7.10|...|3.9.7], which cannot be installed (as previously explained); │ │ ├─ python [3.7.10|3.7.12|...|3.9.9], which cannot be installed (as previously explained); │ │ ├─ python [3.8.13|3.9.12], which cannot be installed (as previously explained); │ │ ├─ python [3.11.0|3.11.1|...|3.9.16], which cannot be installed (as previously explained); │ │ ├─ python [3.11.4|3.8.17|3.9.17], which cannot be installed (as previously explained); │ │ ├─ python [3.11.5|3.11.6|...|3.9.18], which cannot be installed (as previously explained); │ │ ├─ python [3.11.7|3.12.1|3.8.18|3.9.18], which cannot be installed (as previously explained); │ │ ├─ python [3.12.3|3.8.19|3.9.19], which cannot be installed (as previously explained); │ │ ├─ python [3.11.0|3.11.2|...|3.9.19], which cannot be installed (as previously explained); │ │ ├─ python [3.9.10|3.9.12|...|3.9.9], which can be installed; │ │ └─ python 3.9.13 would require │ │ └─ openssl >=3.0.3,<4.0a0 , which conflicts with any installable versions previously reported; │ ├─ pyqt 5.15.7 would require │ │ └─ sip >=6.7.2,<6.8.0a0 with the potential options │ │ ├─ sip [6.6.2|6.7.1|6.7.2], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.1|...|6.7.9], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.1|...|6.7.9], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.10|...|6.7.9], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.12], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.12], which can be installed (as previously explained); │ │ ├─ sip [6.7.2|6.7.3|6.7.4], which can be installed; │ │ ├─ sip [6.7.10|6.7.11|...|6.7.9], which can be installed; │ │ ├─ sip [6.7.10|6.7.11|6.7.7|6.7.8|6.7.9] would require │ │ │ ├─ pypy3.8 >=7.3.11 , which cannot be installed (as previously explained); │ │ │ └─ pypy3.9 >=7.3.11 but there are no viable options │ │ │ ├─ pypy3.9 7.3.11, which cannot be installed (as previously explained); │ │ │ ├─ pypy3.9 7.3.11, which cannot be installed (as previously explained); │ │ │ ├─ pypy3.9 [7.3.12|7.3.13], which cannot be installed (as previously explained); │ │ │ ├─ pypy3.9 7.3.13, which cannot be installed (as previously explained); │ │ │ ├─ pypy3.9 7.3.15, which cannot be installed (as previously explained); │ │ │ ├─ pypy3.9 7.3.15, which cannot be installed (as previously explained); │ │ │ └─ pypy3.9 7.3.16 would require │ │ │ └─ libsqlite >=3.45.3,<4.0a0 , which conflicts with any installable versions previously reported; │ │ ├─ sip 6.7.11 would require │ │ │ └─ python >=3.12.0rc3,<3.13.0a0 but there are no viable options │ │ │ ├─ python [3.11.5|3.11.6|...|3.9.18], which cannot be installed (as previously explained); │ │ │ ├─ python [3.11.7|3.12.1|3.8.18|3.9.18], which cannot be installed (as previously explained); │ │ │ ├─ python [3.12.3|3.8.19|3.9.19], which cannot be installed (as previously explained); │ │ │ ├─ python [3.11.8|3.12.2], which cannot be installed (as previously explained); │ │ │ ├─ python 3.12.4 would require │ │ │ │ └─ libsqlite >=3.46.0,<4.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.12.0|3.12.1|3.12.2] would require │ │ │ │ └─ expat >=2.5.0,<3.0a0 , which conflicts with any installable versions previously reported; │ │ │ ├─ python [3.12.3|3.12.4] would require │ │ │ │ └─ expat >=2.6.2,<3.0a0 , which conflicts with any installable versions previously reported; │ │ │ └─ python 3.12.0rc3 would require │ │ │ └─ _python_rc, which does not exist (perhaps a missing channel); │ │ ├─ sip [6.7.11|6.7.12] would require │ │ │ └─ pypy3.9 [>=7.3.12 |>=7.3.13 ], which cannot be installed (as previously explained); │ │ └─ sip 6.7.12 would require │ │ └─ python >=3.12,<3.13.0a0 , which cannot be installed (as previously explained); │ ├─ pyqt 5.15.7 would require │ │ └─ python >=3.11,<3.12.0a0 with the potential options │ │ ├─ python [3.11.0|3.11.1|...|3.9.16], which cannot be installed (as previously explained); │ │ ├─ python [3.11.4|3.8.17|3.9.17], which cannot be installed (as previously explained); │ │ ├─ python [3.11.5|3.11.6|...|3.9.18], which cannot be installed (as previously explained); │ │ ├─ python [3.11.7|3.12.1|3.8.18|3.9.18], which cannot be installed (as previously explained); │ │ ├─ python [3.11.0|3.11.2|...|3.9.19], which cannot be installed (as previously explained); │ │ ├─ python 3.11.0, which cannot be installed (as previously explained); │ │ ├─ python [3.11.8|3.12.2], which cannot be installed (as previously explained); │ │ ├─ python 3.11.9, which cannot be installed (as previously explained); │ │ └─ python 3.11.0, which can be installed; │ ├─ pyqt 5.15.7 would require │ │ └─ python_abi 3.7. _cp37m, which can be installed; │ ├─ pyqt 5.15.7 would require │ │ └─ python_abi 3.8. _cp38, which can be installed; │ ├─ pyqt 5.15.7 would require │ │ └─ python_abi 3.9. _cp39, which can be installed; │ ├─ pyqt 5.15.7 would require │ │ └─ sip >=6.7.5,<6.8.0a0 with the potential options │ │ ├─ sip [6.6.2|6.7.1|...|6.7.9], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.1|...|6.7.9], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.10|...|6.7.9], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.12], which can be installed (as previously explained); │ │ ├─ sip [6.6.2|6.7.12], which can be installed (as previously explained); │ │ ├─ sip [6.7.10|6.7.11|...|6.7.9], which can be installed; │ │ ├─ sip [6.7.10|6.7.11|6.7.7|6.7.8|6.7.9], which cannot be installed (as previously explained); │ │ ├─ sip 6.7.11, which cannot be installed (as previously explained); │ │ ├─ sip [6.7.11|6.7.12], which cannot be installed (as previously explained); │ │ └─ sip 6.7.12, which cannot be installed (as previously explained); │ └─ pyqt 5.15.7 would require │ └─ qt-webengine >=5.15.9,<5.16.0a0 but there are no viable options │ ├─ qt-webengine 5.15.9 would require │ │ └─ fontconfig >=2.14.1,<3.0a0 but there are no viable options │ │ ├─ fontconfig 2.14.1 conflicts with any installable versions previously reported; │ │ ├─ fontconfig 2.14.2 would require │ │ │ └─ expat >=2.5.0,<3.0a0 , which conflicts with any installable versions previously reported; │ │ └─ fontconfig 2.14.1 would require │ │ └─ libxml2 >=2.13.1,<2.14.0a0 , which requires │ │ └─ icu >=73.1,<74.0a0 , which conflicts with any installable versions previously reported; │ ├─ qt-webengine 5.15.9 would require │ │ └─ libpng >=1.6.39,<1.7.0a0 , which conflicts with any installable versions previously reported; │ └─ qt-webengine 5.15.9 would require │ └─ libxcb >=1.15,<2.0a0 , which conflicts with any installable versions previously reported; ├─ python 3.10.6 is not installable because there are no viable options │ ├─ python [3.10.6|3.7.10|...|3.9.7], which cannot be installed (as previously explained); │ ├─ python 3.10.6 would require │ │ └─ python_abi 3.10. _cp310, which conflicts with any installable versions previously reported; │ └─ python 3.10.6 would require │ └─ openssl >=3.0.5,<4.0a0 , which conflicts with any installable versions previously reported; ├─ qt-main 5.15.6 is not installable because there are no viable options │ ├─ qt-main 5.15.6 would require │ │ └─ libevent >=2.1.10,<2.1.11.0a0 , which conflicts with any installable versions previously reported; │ └─ qt-main 5.15.6 would require │ └─ libglib >=2.74.1,<3.0a0 but there are no viable options │ ├─ libglib 2.74.1 would require │ │ └─ glib 2.74.1 _1, which conflicts with any installable versions previously reported; │ ├─ libglib 2.74.1 would require │ │ └─ glib 2.74.1 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.76.1 would require │ │ └─ glib 2.76.1 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.76.2 would require │ │ └─ glib 2.76.2 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.76.3 would require │ │ └─ glib 2.76.3 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.76.4 would require │ │ └─ glib 2.76.4 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.78.0 would require │ │ └─ glib 2.78.0 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.78.1 would require │ │ └─ glib 2.78.1 _1, which conflicts with any installable versions previously reported; │ ├─ libglib 2.78.1 would require │ │ └─ glib 2.78.1 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.78.2 would require │ │ └─ glib 2.78.2 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.78.3 would require │ │ └─ glib 2.78.3 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.78.4 would require │ │ └─ glib 2.78.4 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.78.4 would require │ │ └─ glib 2.78.4 _4, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.0 would require │ │ └─ glib 2.80.0 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.0 would require │ │ └─ glib 2.80.0 _1, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.0 would require │ │ └─ glib 2.80.0 _2, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.0 would require │ │ └─ glib 2.80.0 _3, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.0 would require │ │ └─ glib 2.80.0 _4, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.0 would require │ │ └─ glib 2.80.0 _5, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.0 would require │ │ └─ glib 2.80.0 _6, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.1 would require │ │ └─ glib 2.80.1 _0, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.2 would require │ │ └─ glib 2.80.2 _1, which conflicts with any installable versions previously reported; │ ├─ libglib 2.80.2 would require │ │ └─ glib 2.80.2 _0, which conflicts with any installable versions previously reported; │ └─ libglib 2.80.3 would require │ └─ glib 2.80.3 _1, which conflicts with any installable versions previously reported; └─ sip 6.7.1** is installable with the potential options ├─ sip [6.6.2|6.7.1|6.7.2], which can be installed (as previously explained); ├─ sip [6.6.2|6.7.1|...|6.7.9], which can be installed (as previously explained); ├─ sip [6.6.2|6.7.1|...|6.7.9], which can be installed (as previously explained); └─ sip 6.7.1 conflicts with any installable versions previously reported.

ezingrebe commented 1 month ago

I think that Roshan's comment "a little bit old" is the key. Making polymersimulations.yml work would require from the user to solve all the "missing packages" and compatibilities issues, which can be frustrating and more time consuming than creating conda env from scratch. There's already a step-by-step procedure described in the README file, which works just fine!