Re: [SIESTA-L] Compiling siesta 4.1.5b, problem with libfdf
Thanks Nick, I got mixed up between the master branch and 4.1.5, and which one had psml support, I will try compiling the master branch instead Danny From: siesta-l-requ...@uam.es on behalf of Nick Papior Sent: 25 August 2023 02:56 To: siesta-l@uam.es Subject: Re: [SIESTA-L] Compiling siesta 4.1.5b, problem with libfdf Hi, 4.1.5b does not contain the psml stuff.. So I am not fully sure what you mean? Secondly, - if you want a stable release, use 4.1.5, this does NOT contain PSML. - if you want psml support, download the latest 'master' commit at gitlab.com/siesta-project/siesta<https://urldefense.com/v3/__http://gitlab.com/siesta-project/siesta__;!!D9dNQwwGXtA!QNYgtRVBdTms0eegc1QBISe8IP7G12h9jf2gBR_fBZ_Aqb_JZ3UPJs1vCcnNLiGBJRW8vElNYd5iKxVmgg$> Den tors. 24. aug. 2023 kl. 22.00 skrev Daniel Bennett mailto:db...@cantab.ac.uk>>: Hi all, I am trying to compile siesta 4.1.5b manually and am having some problems. (I was previously using the psml version, but psml support is now in the main branch so I want to upgrade) The build process is a little different, requiring an explicit build of libfdf. I downloaded and compiled libfdf with the same compilers and modules as I use for the siesta build, but when I try to build siesta, it can't seem to find libfdf. arch.make file and a log file for make are attached. I tried setting FDF_ROOT to /path/to/libfdf as well as /path/to/libfdf/lib/pkgconfig, which is where the libfdf.pc file is located. Neither of these worked for me. Has anyone else had similar problems? Any advice greatly appreciated. Thanks, Daniel Bennett -- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!SIGMWIf1_yaecJiAt9ilom6T2Wp1eVzN19SkmmtX_DmK2bPbA3htf7OA_y6jg3U-_XAM0b4XdQKJli89$ <https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!QNYgtRVBdTms0eegc1QBISe8IP7G12h9jf2gBR_fBZ_Aqb_JZ3UPJs1vCcnNLiGBJRW8vElNYd4jAZwiFA$>) -- Kind regards Nick -- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
Re: [SIESTA-L] Compiling siesta 4.1.5b, problem with libfdf
Hi, 4.1.5b does not contain the psml stuff.. So I am not fully sure what you mean? Secondly, - if you want a stable release, use 4.1.5, this does NOT contain PSML. - if you want psml support, download the latest 'master' commit at gitlab.com/siesta-project/siesta Den tors. 24. aug. 2023 kl. 22.00 skrev Daniel Bennett : > Hi all, > > I am trying to compile siesta 4.1.5b manually and am having some problems. > (I was previously using the psml version, but psml support is now in the > main branch so I want to upgrade) > > The build process is a little different, requiring an explicit build of > libfdf. I downloaded and compiled libfdf with the same compilers and > modules as I use for the siesta build, but when I try to build siesta, it > can't seem to find libfdf. arch.make file and a log file for make are > attached. I tried setting FDF_ROOT to /path/to/libfdf as well as > /path/to/libfdf/lib/pkgconfig, which is where the libfdf.pc file is > located. Neither of these worked for me. > > Has anyone else had similar problems? Any advice greatly appreciated. > > Thanks, > > Daniel Bennett > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence > (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!QNYgtRVBdTms0eegc1QBISe8IP7G12h9jf2gBR_fBZ_Aqb_JZ3UPJs1vCcnNLiGBJRW8vElNYd4jAZwiFA$ > ) > -- 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/)
[SIESTA-L] Compiling siesta 4.1.5b, problem with libfdf
Hi all, I am trying to compile siesta 4.1.5b manually and am having some problems. (I was previously using the psml version, but psml support is now in the main branch so I want to upgrade) The build process is a little different, requiring an explicit build of libfdf. I downloaded and compiled libfdf with the same compilers and modules as I use for the siesta build, but when I try to build siesta, it can't seem to find libfdf. arch.make file and a log file for make are attached. I tried setting FDF_ROOT to /path/to/libfdf as well as /path/to/libfdf/lib/pkgconfig, which is where the libfdf.pc file is located. Neither of these worked for me. Has anyone else had similar problems? Any advice greatly appreciated. Thanks, Daniel Bennett arch.make Description: arch.make GRIDXC was compiled with MPI GRIDXC was compiled with libxc support GRIDXC was compiled with libxc support /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:512: warning: overriding recipe for target '.c.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:94: warning: ignoring old recipe for target '.c.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:514: warning: overriding recipe for target '.F.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:96: warning: ignoring old recipe for target '.F.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:516: warning: overriding recipe for target '.F90.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:98: warning: ignoring old recipe for target '.F90.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:518: warning: overriding recipe for target '.f.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:100: warning: ignoring old recipe for target '.f.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:520: warning: overriding recipe for target '.f90.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:102: warning: ignoring old recipe for target '.f90.o' (cd Src; make siesta ) make[1]: Entering directory '/net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/Src' GRIDXC was compiled with MPI GRIDXC was compiled with libxc support GRIDXC was compiled with libxc support /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:512: warning: overriding recipe for target '.c.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:94: warning: ignoring old recipe for target '.c.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:514: warning: overriding recipe for target '.F.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:96: warning: ignoring old recipe for target '.F.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:516: warning: overriding recipe for target '.F90.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:98: warning: ignoring old recipe for target '.F90.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:518: warning: overriding recipe for target '.f.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:100: warning: ignoring old recipe for target '.f.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:520: warning: overriding recipe for target '.f90.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:102: warning: ignoring old recipe for target '.f90.o' Compilation architecture to be used: build-mk-scheme If this is not what you want, create the right arch.make file using the models in Src/Sys Hit ^C to abort... SIESTA_VERSION = 5.0.0-alpha-74-g87d74b5ec WARNING: This is *not* an official SIESTA release. WARNING: WARNING: Unless you are trying a feature or fix that has not WARNING: been released yet, we strongly recommend the use of WARNING: official releases of SIESTA, which can be downloaded from WARNING: https://gitlab.com/siesta-project/siesta/-/releases . ==> Incorporating information about present compilation (compiler and flags) make "FPPFLAGS=-DF2003 " compinfo.o make[2]: Entering directory '/net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/Src' GRIDXC was compiled with MPI GRIDXC was compiled with libxc support GRIDXC was compiled with libxc support /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/build.mk:512: warning: overriding recipe for target '.c.o' /net/fs2k02/srv/export/kaxiras/share_root/software/siesta/siesta-4.1.5/build/arch.make:94: warning: ignoring
