add environment for cmti@mpie #137

jan-janssen · 2023-10-23T06:03:31Z

No description provided.

jan-janssen · 2023-10-23T06:04:01Z

Most likely it makes more sense to transfer this environment to https://github.com/eisenforschung

jan-janssen · 2023-10-23T06:28:39Z

Conflicts for tensorflow and python =3.11:

#8 41.90 The following packages are incompatible
#8 41.90 ├─ pydantic-settings is installable and it requires
#8 41.90 │  └─ pydantic >=2  with the potential options
#8 41.90 │     ├─ pydantic [2.0|2.0.1|2.0.2|2.0.3] would require
#8 41.90 │     │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 41.90 │     ├─ pydantic [2.0|2.0.1|...|2.4.2] would require
#8 41.90 │     │  └─ typing-extensions >=4.6.1  with the potential options
#8 41.90 │     │     ├─ typing-extensions 4.6.1 would require
#8 41.90 │     │     │  └─ typing_extensions 4.6.1 pyha770c72_0, which can be installed;
#8 41.90 │     │     ├─ typing-extensions 4.6.2 would require
#8 41.90 │     │     │  └─ typing_extensions 4.6.2 pyha770c72_0, which can be installed;
#8 41.90 │     │     ├─ typing-extensions 4.6.3 would require
#8 41.90 │     │     │  └─ typing_extensions 4.6.3 pyha770c72_0, which can be installed;
#8 41.90 │     │     ├─ typing-extensions 4.7.0 would require
#8 41.90 │     │     │  └─ typing_extensions 4.7.0 pyha770c72_0, which can be installed;
#8 41.90 │     │     ├─ typing-extensions 4.7.1 would require
#8 41.90 │     │     │  └─ typing_extensions 4.7.1 pyha770c72_0, which can be installed;
#8 41.90 │     │     └─ typing-extensions 4.8.0 would require
#8 41.90 │     │        └─ typing_extensions 4.8.0 pyha770c72_0, which can be installed;
#8 41.90 │     ├─ pydantic [2.0|2.0.1|2.0.2|2.0.3] would require
#8 41.90 │     │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 41.90 │     └─ pydantic [2.0|2.0.1|2.0.2|2.0.3] would require
#8 41.90 │        └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 41.90 └─ tensorflow 2.12.1**  is installable with the potential options
#8 41.90    ├─ tensorflow 2.12.1 would require
#8 41.90    │  └─ tensorflow-base [2.12.1 cpu_py311h3b2d84c_1|2.12.1 cpu_py311h743e7a3_0], which requires
#8 41.90    │     └─ typing_extensions >=3.6.6,<4.6.0  with the potential options
#8 41.90    │        ├─ typing_extensions [3.6.6|3.7.2|3.7.4|3.7.4.1] would require
#8 41.90    │        │  └─ python >=2.7,<2.8.0a0 , which can be installed;
#8 41.90    │        ├─ typing_extensions [3.6.6|3.7.2|3.7.4|3.7.4.1] would require
#8 41.90    │        │  └─ python >=3.6,<3.7.0a0 , which can be installed;
#8 41.90    │        ├─ typing_extensions [3.6.6|3.7.2|3.7.4|3.7.4.1] would require
#8 41.90    │        │  └─ python >=3.7,<3.8.0a0 , which can be installed;
#8 41.90    │        ├─ typing_extensions [3.7.4|3.7.4.1] would require
#8 41.90    │        │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 41.90    │        └─ typing_extensions [3.10.0.0|3.10.0.1|...|4.5.0] conflicts with any installable versions previously reported;
#8 41.90    ├─ tensorflow 2.12.1 would require
#8 41.90    │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 41.90    ├─ tensorflow 2.12.1 would require
#8 41.90    │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 41.90    ├─ tensorflow 2.12.1 would require
#8 41.90    │  └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 41.90    └─ tensorflow 2.12.1 would require
#8 41.90       └─ __cuda, which is missing on the system.
#8 41.90    │        │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 41.90    │        └─ typing_extensions [3.10.0.0|3.10.0.1|...|4.5.0] conflicts with any installable versions previously reported;
#8 41.90    ├─ tensorflow 2.12.1 would require
#8 41.90    │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 41.90    ├─ tensorflow 2.12.1 would require
#8 41.90    │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 41.90    ├─ tensorflow 2.12.1 would require
#8 41.90    │  └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 41.90    └─ tensorflow 2.12.1 would require
#8 41.90       └─ __cuda, which is missing on the system.

jan-janssen · 2023-10-23T17:54:00Z

LAMMPS and tensorflow result to conflicts in the libjpeg-turbo version:

#8 39.71 The following packages are incompatible
#8 39.71 ├─ lammps is installable with the potential options
#8 39.71 │  ├─ lammps [2018.03.16|2018.12.12|...|2021.08.31] would require
#8 39.71 │  │  └─ python >=3.6,<3.7.0a0 , which can be installed;
#8 39.71 │  ├─ lammps [2018.03.16|2018.12.12|2019.06.05|2019.08.07|2020.03.03] would require
#8 39.71 │  │  └─ python >=2.7,<2.8.0a0 , which can be installed;
#8 39.71 │  ├─ lammps 2018.03.16 would require
#8 39.71 │  │  └─ openmpi 3.0.* , which does not exist (perhaps a missing channel);
#8 39.71 │  ├─ lammps 2018.03.16 would require
#8 39.71 │  │  └─ python >=3.5,<3.6.0a0 , which can be installed;
#8 39.71 │  ├─ lammps [2018.12.12|2019.06.05|...|2022.06.23] would require
#8 39.71 │  │  └─ python >=3.7,<3.8.0a0 , which can be installed;
#8 39.71 │  ├─ lammps [2020.03.03|2020.10.29|...|2023.08.02] would require
#8 39.71 │  │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 39.71 │  ├─ lammps [2020.03.03|2020.10.29|...|2023.08.02] would require
#8 39.71 │  │  └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 39.71 │  ├─ lammps [2021.09.29|2022.06.23|2023.02.08|2023.03.28|2023.08.02] would require
#8 39.71 │  │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 39.71 │  ├─ lammps [2022.06.23|2023.02.08|2023.03.28|2023.08.02] would require
#8 39.71 │  │  └─ libjpeg-turbo >=2.1.5.1,<3.0a0 , which can be installed;
#8 39.71 │  ├─ lammps 2022.06.23 would require
#8 39.71 │  │  └─ libnetcdf >=4.9.1,<4.9.2.0a0  with the potential options
#8 39.71 │  │     ├─ libnetcdf 4.9.1 would require
#8 39.71 │  │     │  └─ libjpeg-turbo >=2.1.5.1,<3.0a0 , which can be installed;
#8 39.71 │  │     └─ libnetcdf 4.9.1 would require
#8 39.71 │  │        └─ jpeg >=9e,<10a , which can be installed;
#8 39.71 │  └─ lammps 2023.03.28 would require
#8 39.71 │     └─ __cuda, which is missing on the system;
#8 39.71 └─ tensorflow 2.13.1**  is installable with the potential options
#8 39.71    ├─ tensorflow 2.13.1 would require
#8 39.71    │  └─ tensorflow-base 2.13.1 cpu_py311ha0be21f_1, which requires
#8 39.71    │     └─ libjpeg-turbo >=3.0.0,<4.0a0 , which requires
#8 39.71    │        └─ jpeg <0.0.0a , which conflicts with any installable versions previously reported;
#8 39.71    ├─ tensorflow 2.13.1 would require
#8 39.71    │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 39.71    ├─ tensorflow 2.13.1 would require
#8 39.71    │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 39.71    ├─ tensorflow 2.13.1 would require
#8 39.71    │  └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 39.71    └─ tensorflow 2.13.1 would require
#8 39.71       └─ __cuda, which is missing on the system.
#8 39.71    │     └─ libjpeg-turbo >=3.0.0,<4.0a0 , which requires
#8 39.71    │        └─ jpeg <0.0.0a , which conflicts with any installable versions previously reported;
#8 39.71    ├─ tensorflow 2.13.1 would require
#8 39.71    │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 39.71    ├─ tensorflow 2.13.1 would require
#8 39.71    │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 39.71    ├─ tensorflow 2.13.1 would require
#8 39.71    │  └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 39.71    └─ tensorflow 2.13.1 would require
#8 39.71       └─ __cuda, which is missing on the system.

jan-janssen · 2023-10-23T18:30:37Z

Waiting for conda-forge/lammps-feedstock#169

jan-janssen · 2023-10-24T06:13:13Z

pydantic >=2 requires typing-extensions >=4.6.1 but tensorflow =2.13.1 requires typing_extensions >=3.6.6,<4.6.0 :

#8 39.64 The following packages are incompatible
#8 39.64 ├─ pydantic-settings is installable and it requires
#8 39.64 │  └─ pydantic >=2  with the potential options
#8 39.64 │     ├─ pydantic [2.0|2.0.1|2.0.2|2.0.3] would require
#8 39.64 │     │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 39.64 │     ├─ pydantic [2.0|2.0.1|...|2.4.2] would require
#8 39.64 │     │  └─ typing-extensions >=4.6.1  with the potential options
#8 39.64 │     │     ├─ typing-extensions 4.6.1 would require
#8 39.64 │     │     │  └─ typing_extensions 4.6.1 pyha770c72_0, which can be installed;
#8 39.64 │     │     ├─ typing-extensions 4.6.2 would require
#8 39.64 │     │     │  └─ typing_extensions 4.6.2 pyha770c72_0, which can be installed;
#8 39.64 │     │     ├─ typing-extensions 4.6.3 would require
#8 39.64 │     │     │  └─ typing_extensions 4.6.3 pyha770c72_0, which can be installed;
#8 39.64 │     │     ├─ typing-extensions 4.7.0 would require
#8 39.64 │     │     │  └─ typing_extensions 4.7.0 pyha770c72_0, which can be installed;
#8 39.64 │     │     ├─ typing-extensions 4.7.1 would require
#8 39.64 │     │     │  └─ typing_extensions 4.7.1 pyha770c72_0, which can be installed;
#8 39.64 │     │     └─ typing-extensions 4.8.0 would require
#8 39.64 │     │        └─ typing_extensions 4.8.0 pyha770c72_0, which can be installed;
#8 39.64 │     ├─ pydantic [2.0|2.0.1|2.0.2|2.0.3] would require
#8 39.64 │     │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 39.64 │     └─ pydantic [2.0|2.0.1|2.0.2|2.0.3] would require
#8 39.64 │        └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 39.64 └─ tensorflow 2.13.1**  is installable with the potential options
#8 39.64    ├─ tensorflow 2.13.1 would require
#8 39.64    │  └─ tensorflow-base 2.13.1 cpu_py311ha0be21f_1, which requires
#8 39.64    │     └─ typing_extensions >=3.6.6,<4.6.0  with the potential options
#8 39.64    │        ├─ typing_extensions [3.6.6|3.7.2|3.7.4|3.7.4.1] would require
#8 39.64    │        │  └─ python >=2.7,<2.8.0a0 , which can be installed;
#8 39.64    │        ├─ typing_extensions [3.6.6|3.7.2|3.7.4|3.7.4.1] would require
#8 39.64    │        │  └─ python >=3.6,<3.7.0a0 , which can be installed;
#8 39.64    │        ├─ typing_extensions [3.6.6|3.7.2|3.7.4|3.7.4.1] would require
#8 39.64    │        │  └─ python >=3.7,<3.8.0a0 , which can be installed;
#8 39.64    │        ├─ typing_extensions [3.7.4|3.7.4.1] would require
#8 39.64    │        │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 39.64    │        └─ typing_extensions [3.10.0.0|3.10.0.1|...|4.5.0] conflicts with any installable versions previously reported;
#8 39.64    ├─ tensorflow 2.13.1 would require
#8 39.64    │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 39.64    ├─ tensorflow 2.13.1 would require
#8 39.64    │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 39.64    ├─ tensorflow 2.13.1 would require
#8 39.64    │  └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 39.64    └─ tensorflow 2.13.1 would require
#8 39.64       └─ __cuda, which is missing on the system.
#8 39.64    │        │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 39.64    │        └─ typing_extensions [3.10.0.0|3.10.0.1|...|4.5.0] conflicts with any installable versions previously reported;
#8 39.64    ├─ tensorflow 2.13.1 would require
#8 39.64    │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 39.64    ├─ tensorflow 2.13.1 would require
#8 39.64    │  └─ python >=3.8,<3.9.0a0 , which can be installed;
#8 39.64    ├─ tensorflow 2.13.1 would require
#8 39.64    │  └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 39.64    └─ tensorflow 2.13.1 would require
#8 39.64       └─ __cuda, which is missing on the system.

jan-janssen · 2023-10-31T09:49:12Z

Waiting for conda-forge/tensorflow-feedstock#347

jan-janssen · 2023-11-14T06:53:12Z

#8 45.44 Could not solve for environment specs
#8 45.44 The following packages are incompatible
#8 45.44 ├─ libre2-11 is installable and it requires
#8 45.44 │  └─ libabseil >=20230802.1,<20230803.0a0 , which can be installed;
#8 45.44 └─ tensorflow 2.14.0**  is installable with the potential options
#8 45.44    ├─ tensorflow 2.14.0 would require
#8 45.44    │  └─ tensorflow-base 2.14.0 cpu_py311ha0be21f_0, which requires
#8 45.44    │     └─ libabseil >=20230125.3,<20230126.0a0 , which conflicts with any installable versions previously reported;
#8 45.44    ├─ tensorflow 2.14.0 would require
#8 45.44    │  └─ python >=3.10,<3.11.0a0 , which can be installed;
#8 45.44    ├─ tensorflow 2.14.0 would require
#8 45.44    │  └─ python >=3.9,<3.10.0a0 , which can be installed;
#8 45.44    └─ tensorflow 2.14.0 would require
#8 45.44       └─ __cuda, which is missing on the system.

jan-janssen · 2023-12-18T06:08:38Z

#8 30.14 The following packages are incompatible
#8 30.14 ├─ libre2-11 is installable and it requires
#8 30.14 │  └─ libabseil >=20230802.1,<20230803.0a0 , which can be installed;
#8 30.14 └─ tensorflow 2.15.0**  is installable with the potential options
#8 30.14    ├─ tensorflow 2.15.0 would require
#8 30.14    │  └─ tensorflow-base 2.15.0 cpu_py311ha0be21f_0, which requires
#8 30.14    │     └─ libabseil >=20230125.3,<20230126.0a0 , which conflicts with any installable versions previously reported;

Merge main

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add environment for cmti@mpie

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jan-janssen added 4 commits October 23, 2023 08:05

Delete mpie_cmti/exclude

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Delete mpie_cmti/include_notebooks.sh

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Update Dockerfile

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Update environment.yml

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jan-janssen added 2 commits October 23, 2023 08:29

Update environment.yml

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Update testing.yml

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jan-janssen mentioned this pull request Oct 23, 2023

[New Container] Workflow #133

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jan-janssen reopened this Oct 24, 2023

jan-janssen marked this pull request as draft October 24, 2023 06:14

jan-janssen force-pushed the main branch from ea849d5 to 640dcf9 Compare November 6, 2023 06:17

Update environment.yml

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jan-janssen marked this pull request as ready for review November 14, 2023 06:30

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jan-janssen reopened this Nov 14, 2023

jan-janssen marked this pull request as draft November 14, 2023 06:53

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jan-janssen reopened this Dec 17, 2023

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jan-janssen added 6 commits December 18, 2023 07:35

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jan-janssen force-pushed the mpie branch from f2a7f45 to 7c75070 Compare December 18, 2023 08:30

jan-janssen marked this pull request as ready for review December 18, 2023 08:30

jan-janssen requested a review from niklassiemer December 18, 2023 09:01

jan-janssen and others added 4 commits January 4, 2024 08:28

Merge pull request #198 from pyiron/main

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Merge main

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Merge pull request #222 from pyiron/niklassiemer-patch-1

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Merge pull request #224 from pyiron/main

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delete-merged-branch bot deleted the branch main January 30, 2024 09:11

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jan-janssen reopened this Jan 30, 2024

niklassiemer merged commit 9512919 into main Jan 31, 2024
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add environment for cmti@mpie #137

add environment for cmti@mpie #137

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add environment for cmti@mpie #137

add environment for cmti@mpie #137

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