Hi, Which version of siesta did you install with conda?
Could you try and upgrade the siesta installation. The latest version should have this enabled. Den tors. 16. maj 2024 kl. 22.00 skrev Aleksandra Oranskaia < aleksandra.oransk...@kaust.edu.sa>: > Dear users and developers, > > I am a beginner user of Siesta and installed it via conda (as described > here > https://urldefense.com/v3/__https://docs.siesta-project.org/projects/siesta/en/latest/installation/conda.html__;!!D9dNQwwGXtA!Rfqlu6lbZ09CF33nERDLu2sDGB7yDZjhqMkO747azwfrA95ojVbQhuf200SAkJLBSe9ogODx1S2AeHwOcA$ > > <https://urldefense.com/v3/__https://docs.siesta-project.org/projects/siesta/en/latest/installation/conda.html__;!!D9dNQwwGXtA!Qzr6Y1MFPaDZI-z4fmlLHuYhA2YCdna2JoppHV513Pc2nTYJpwZpD_PbZTphP5DcAVYCIl9Wo3e4NgAJUUib-JHx8MXzxQ$> > ). > > After going through the basic tutorials/tests I tried NEB examples with > lua functionality but this type of run is not recognized by Siesta (i.e. > conda installation is done without the flos library, if I understand > correctly). > Could you please connect me with a person(s) who could help with making > conda installation possible with flos? > > PS I tried to compile Siesta (following > https://urldefense.com/v3/__https://github.com/siesta-project/flos__;!!D9dNQwwGXtA!Rfqlu6lbZ09CF33nERDLu2sDGB7yDZjhqMkO747azwfrA95ojVbQhuf200SAkJLBSe9ogODx1S0Spi90Fg$ > > <https://urldefense.com/v3/__https://github.com/siesta-project/flos__;!!D9dNQwwGXtA!Qzr6Y1MFPaDZI-z4fmlLHuYhA2YCdna2JoppHV513Pc2nTYJpwZpD_PbZTphP5DcAVYCIl9Wo3e4NgAJUUib-JHp8ogNJQ$>) > but it did not work for me. > > Sorry for bothering. Thank you and hope to hear from anybody. > > Best wishes, > Alex, PhD in chemical sciences > 'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman) > https://urldefense.com/v3/__https://cpms.kaust.edu.sa/__;!!D9dNQwwGXtA!Rfqlu6lbZ09CF33nERDLu2sDGB7yDZjhqMkO747azwfrA95ojVbQhuf200SAkJLBSe9ogODx1S3OJ2HO3g$ > > <https://urldefense.com/v3/__https://cpms.kaust.edu.sa/__;!!D9dNQwwGXtA!Qzr6Y1MFPaDZI-z4fmlLHuYhA2YCdna2JoppHV513Pc2nTYJpwZpD_PbZTphP5DcAVYCIl9Wo3e4NgAJUUib-JEgbdHP-w$> > > ------------------------------ > This message and its contents, including attachments are intended solely > for the original recipient. If you are not the intended recipient or have > received this message in error, please notify me immediately and delete > this message from your computer system. Any unauthorized use or > distribution is prohibited. Please consider the environment before printing > this email. > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence > (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!Rfqlu6lbZ09CF33nERDLu2sDGB7yDZjhqMkO747azwfrA95ojVbQhuf200SAkJLBSe9ogODx1S2b6qq9Rw$ > ) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
