Yambopy via conda - Revision history

Yambowikiadmin at 12:05, 9 February 2023

2023-02-09T12:05:16Z

← Older revision		Revision as of 12:05, 9 February 2023
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	Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda].		Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda].

	== Basic ~~Conda~~ ==		== Basic ==
	If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from [[Installation\|source]] or [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker\|using the Docker container]], you can stay with the basic conda channel:		If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from [[Installation\|source]] or [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker\|using the Docker container]], you can stay with the basic conda channel:

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	python setup.py install		python setup.py install

	== Advanced ~~Conda~~ (including Yambo and QE) ==		== Advanced (including Yambo and QE) ==
	It is possible to install also Yambo (up to v5.0.4) and Quantum-ESPRESSO via conda-forge (a conda channel/repository):		It is possible to install also Yambo (up to v5.0.4) and Quantum-ESPRESSO via conda-forge (a conda channel/repository):

Yambowikiadmin at 12:04, 9 February 2023

2023-02-09T12:04:56Z

← Older revision		Revision as of 12:04, 9 February 2023
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	For the installation of Yambopy we suggest to use conda in order to be sure to have all the Yambopy features available.		For the installation of Yambopy we suggest to use conda in order to be sure to have all the Yambopy features available.

	* Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda].		Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda].

	== Basic Conda ==		== Basic Conda ==
	* If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from [[Installation\|source]] or [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker\|using the Docker container]], you can stay with the basic conda channel:		If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from [[Installation\|source]] or [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker\|using the Docker container]], you can stay with the basic conda channel:
	~~first~~ install the prerequisites (needed only for Miniconda)
			First install the prerequisites (needed only for Miniconda)
	conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas		conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas
	pip install pymatgen		pip install pymatgen
	pip install abipy		pip install abipy
	~~then~~ install Yambopy		Then install Yambopy
	git clone https://github.com/yambo-code/yambopy.git		git clone https://github.com/yambo-code/yambopy.git
	cd yambopy		cd yambopy
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	== Advanced Conda (including Yambo and QE) ==		== Advanced Conda (including Yambo and QE) ==
	* It is possible to install also Yambo (up to v5.0.4) and Quantum-ESPRESSO via conda-forge (a conda channel/repository):		It is possible to install also Yambo (up to v5.0.4) and Quantum-ESPRESSO via conda-forge (a conda channel/repository):
	~~first~~ we suggest to create a conda environment and activate it:
			First we suggest to create a conda environment and activate it:
	conda create --name yambopy -c conda-forge		conda create --name yambopy -c conda-forge
	conda activate yambopy		conda activate yambopy
	~~then~~ you can install the prerequisites and the two codes:		Then you can install the prerequisites and the two codes:
	conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas		conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas
	conda install yambo		conda install yambo
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	pip install pymatgen		pip install pymatgen
	pip install abipy		pip install abipy
	~~finaly~~ install Yambopy		Finaly install Yambopy
	git clone https://github.com/yambo-code/yambopy.git		git clone https://github.com/yambo-code/yambopy.git
	cd yambopy		cd yambopy
	python setup.py install		python setup.py install

Yambowikiadmin at 12:04, 9 February 2023

2023-02-09T12:04:09Z

← Older revision		Revision as of 12:04, 9 February 2023
Line 3:		Line 3:
	* Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda].		* Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda].

			== Basic Conda ==
	* If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from [[Installation\|source]] or [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker\|using the Docker container]], you can stay with the basic conda channel:		* If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from [[Installation\|source]] or [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker\|using the Docker container]], you can stay with the basic conda channel:
	first install the prerequisites (needed only for Miniconda)		first install the prerequisites (needed only for Miniconda)
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	python setup.py install		python setup.py install

	* It is possible to install also Yambo (up to v5.0.4) and Quantum-~~ESPRESSIO~~ via conda-forge (a conda channel/repository):		== Advanced Conda (including Yambo and QE) ==
			* It is possible to install also Yambo (up to v5.0.4) and Quantum-ESPRESSO via conda-forge (a conda channel/repository):
	first we suggest to create a conda environment and activate it:		first we suggest to create a conda environment and activate it:
	conda create --name yambopy -c conda-forge		conda create --name yambopy -c conda-forge

Daniele2 at 15:41, 1 June 2022

2022-06-01T15:41:22Z

← Older revision		Revision as of 15:41, 1 June 2022
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	cd yambopy		cd yambopy
	python setup.py install		python setup.py install

	~~[[File:Placeholder-image3.png\|thumb]]~~

Daniele2 at 15:41, 1 June 2022

2022-06-01T15:41:04Z

← Older revision		Revision as of 15:41, 1 June 2022
Line 27:		Line 27:
	cd yambopy		cd yambopy
	python setup.py install		python setup.py install

			[[File:Placeholder-image3.png\|thumb]]

Nicolaspallanzani at 15:36, 1 June 2022

2022-06-01T15:36:52Z

← Older revision		Revision as of 15:36, 1 June 2022
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	cd yambopy		cd yambopy
	python setup.py install		python setup.py install

	~~[[File:Placeholder-image2.png\|thumb\|alt=prova\|prova]]~~

Nicolaspallanzani at 15:35, 1 June 2022

2022-06-01T15:35:35Z

← Older revision		Revision as of 15:35, 1 June 2022
Line 27:		Line 27:
	cd yambopy		cd yambopy
	python setup.py install		python setup.py install

			[[File:Placeholder-image2.png\|thumb\|alt=prova\|prova]]

Nicolaspallanzani at 14:39, 2 April 2022

2022-04-02T14:39:13Z

← Older revision		Revision as of 14:39, 2 April 2022
Line 13:		Line 13:
	python setup.py install		python setup.py install

	* It is possible to install also Yambo and Quantum-ESPRESSIO via conda-forge (a conda channel/repository):		* It is possible to install also Yambo (up to v5.0.4) and Quantum-ESPRESSIO via conda-forge (a conda channel/repository):
	first we suggest to create a conda environment and activate it:		first we suggest to create a conda environment and activate it:
	conda create --name yambopy -c conda-forge		conda create --name yambopy -c conda-forge

Nicolaspallanzani at 13:12, 2 April 2022

2022-04-02T13:12:28Z

← Older revision		Revision as of 13:12, 2 April 2022
Line 19:		Line 19:
	then you can install the prerequisites and the two codes:		then you can install the prerequisites and the two codes:
	conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas		conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas
	conda install yambo qe		conda install yambo
			conda install qe
	pip install pymatgen		pip install pymatgen
	pip install abipy		pip install abipy

Nicolaspallanzani at 12:57, 2 April 2022

2022-04-02T12:57:13Z

← Older revision		Revision as of 12:57, 2 April 2022
Line 3:		Line 3:
	* Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda].		* Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda].

	* If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from source or [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker\|using the Docker container]], you can stay with the basic conda channel:		* If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from [[Installation\|source]] or [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker\|using the Docker container]], you can stay with the basic conda channel:
	first install the prerequisites (needed only for Miniconda)		first install the prerequisites (needed only for Miniconda)
	conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas		conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas