diff --git a/gnu/packages/glicid.scm b/gnu/packages/glicid.scm new file mode 100644 index 0000000..40aec85 --- /dev/null +++ b/gnu/packages/glicid.scm @@ -0,0 +1,241 @@ +(define-module (gnu packages glicid) + #:use-module (guix packages) + #:use-module (guix download) + #:use-module (guix git-download) + #:use-module (guix build-system gnu) + #:use-module (guix build-system cmake) + #:use-module (guix licenses) + #:use-module (gnu packages gawk) + #:use-module (gnu packages gcc) + #:use-module (gnu packages commencement) + #:use-module (guix build-system python) + #:use-module ((guix licenses) #:prefix license:) + #:use-module ((guix utils) #:select (target-64bit?)) + #:use-module (gnu packages) + #:use-module (gnu packages admin) + #:use-module (gnu packages autotools) + #:use-module (gnu packages base) + #:use-module (gnu packages freeipmi) + #:use-module (gnu packages linux) + #:use-module (gnu packages mpi) + #:use-module (gnu packages perl) + #:use-module (gnu packages pkg-config) + #:use-module (gnu packages parallel) + #:use-module (gnu packages storage) + #:use-module (gnu packages networking) + #:use-module (gnu packages gtk) + #:use-module (gnu packages python) + #:use-module (gnu packages python-science) + #:use-module (gnu packages python-xyz) + #:use-module (gnu packages readline) + #:use-module (gnu packages tcl) + #:use-module (gnu packages tls) + #:use-module (gnu packages commencement) + #:use-module (gnu packages gcc) + #:use-module (gnu packages chemistry) + #:use-module (gnu packages sphinx) + #:use-module (srfi srfi-1) + #:use-module (gnu packages mpi) + #:use-module (gnu packages sssd) + #:use-module (gnu packages web)) + + + +(define-public glicid-custom-slurm-19.05 + (package + (inherit slurm) + (name "glicid-custom-slurm-19.05") + (version "19.05.6") + (source + (origin + (method url-fetch) + (uri (string-append "https://download.schedmd.com/slurm/slurm-" version ".tar.bz2")) + (sha256 (base32 "1kj79r8hng5gp98ickgvj3im4gr19nzd3p3p8g6rl75axb8jin7h")) + )) + (inputs `(("gtk+-2" ,gtk+-2) + ("sssd", sssd) + ,@(package-inputs slurm) + )) +)) + +;; (define-public glicid-custom-slurm glicid-custom-slurm-19.05) + +(define-public glicid-custom-slurm-20.02 + (package + (inherit glicid-custom-slurm-19.05) + (name "glicid-custom-slurm-20.02") + (version "20.02.2") + (source + (origin + (method url-fetch) + (uri (string-append "https://download.schedmd.com/slurm/slurm-" version ".tar.bz2")) + (sha256 (base32 "0bna1kyqphw6v7ca3gyfb3nlcpclc9vx8py55w7l7sv8xxsqrrvy")) + )) +)) + + + + +(define-public glicid-librdkafka-09 + (package + (inherit librdkafka) + (name "glicid-librdkafka-09") + (version "0.9.2") + (source + (origin + (method url-fetch) + (uri (string-append "https://github.com/edenhill/librdkafka/archive/v" version ".tar.gz")) + (sha256 (base32 "0938yn1msaq8xcj5z7b3jcdy6rslh9kxmvz01r8rdcgbarlvchy2")) + )) +)) + + + +(define-public glicid-x2go + (package + (name "glicid-x2go") + (version "4.1.0.3") + (source + (origin + (method url-fetch) + (uri (string-append "https://code.x2go.org/releases/source/x2goserver/x2goserver-" version ".tar.gz")) + (sha256 (base32 "1l6wd708kbipib4ldprfiihqmj4895nifg0bkws4x97majislxk7")) + )) + + (native-inputs + `(("autoconf" ,autoconf) + ("automake" ,automake) + ("libtool" ,libtool))) + + (inputs + `(("perl" , perl))) + + (build-system gnu-build-system) + (synopsis "X2go") + (description "X2go") + (license "not checked") + (home-page "https://wiki.x2go.org") + ) +) + +;(define-public glicid-gromacs-openmpi +; (package +; (inherit gromacs) +; (name "glicid-gromacs-openmpi") +; (inputs `(("openmpi", openmpi) +; ,@(package-inputs gromacs))) +; (build-system cmake-build-system) +; (arguments +; `(#:configure-flags configure-flags) +; (append configure-flags (list "-DGMX_MPI=on" +; "-DCMAKE_C_COMPILER=mpicc" +; "-DCMAKE_CXX_COMPILER=mpiicxx" +; )) +; ) +; ) +;) + + +(define-public glicid-gromacs-openmpi + (package + (inherit gromacs) + (name "glicid-gromacs-openmpi") + (inputs `(("openmpi", openmpi) + ;; ("openssh", openssh) ;; only for tests... disabled now + ,@(package-inputs gromacs))) + (build-system cmake-build-system) + + (arguments + `(#:configure-flags + (list "-DGMX_DEVELOPER_BUILD=on" ; Needed to run tests + ;; Unbundling + "-DGMX_USE_LMFIT=EXTERNAL" + "-DGMX_BUILD_OWN_FFTW=off" + "-DGMX_EXTERNAL_BLAS=on" + "-DGMX_EXTERNAL_LAPACK=on" + "-DGMX_EXTERNAL_TNG=on" + "-DGMX_EXTERNAL_ZLIB=on" + "-DGMX_EXTERNAL_TINYXML2=on" + ;; special glicid + "-DGMX_MPI=on" + "-DCMAKE_C_COMPILER=mpicc" + "-DCMAKE_CXX_COMPILER=mpicxx" + "-DGMX_DOUBLE=off" + "-DGMX_OPENMP=on" + "-DGMX_SIMD=AVX2_256" + (string-append "-DTinyXML2_DIR=" + (assoc-ref %build-inputs "tinyxml2")) + ;; Workaround for cmake/FindSphinx.cmake version parsing that does + ;; not understand the guix-wrapped `sphinx-build --version' answer + (string-append "-DSPHINX_EXECUTABLE_VERSION=" + ,(package-version python-sphinx))) + #:tests? #f + #:phases + (modify-phases %standard-phases + (add-after 'unpack 'fixes + (lambda* (#:key inputs #:allow-other-keys) + ;; Still bundled: part of gromacs, source behind registration + ;; but free software anyways + ;;(delete-file-recursively "src/external/vmd_molfile") + ;; Still bundled: threads-based OpenMPI-compatible fallback + ;; designed to be bundled like that + ;;(delete-file-recursively "src/external/thread_mpi") + ;; Unbundling + (delete-file-recursively "src/external/lmfit") + (delete-file-recursively "src/external/clFFT") + (delete-file-recursively "src/external/fftpack") + (delete-file-recursively "src/external/build-fftw") + (delete-file-recursively "src/external/tng_io") + (delete-file-recursively "src/external/tinyxml2") + (delete-file-recursively "src/external/googletest") + (copy-recursively (assoc-ref inputs "googletest-source") + "src/external/googletest") + ;; This test warns about the build host hardware, disable + (substitute* "src/gromacs/hardware/tests/hardwaretopology.cpp" + (("TEST\\(HardwareTopologyTest, HwlocExecute\\)") + "void __guix_disabled()")) + #t))))) + + + + ) + +) + + + +;; pour futures customisations. + +(define-public glicid-openmpi-gcc-10 + (package + (inherit openmpi) + (name "glicid-openpmi-gcc-10") + (inputs `(("gcc-10", gcc-10) + ("gfortran-10", gfortran-10) + ,@(package-inputs openmpi))) + ) +) + +(define-public glicid-openmpi-gcc-10 + (package + (inherit openmpi) + (name "glicid-openpmi-gcc-10") + (inputs `(("gcc-10", gcc-10) + ("gfortran-10", gfortran-10) + ,@(package-inputs openmpi))) + ) +) + + +(define-public glicid-gromacs-gcc-10 + (package + (inherit gromacs) + (name "glicid-gromacs-gcc-10") + (inputs `(("gcc-10", gcc-10) + ("gfortran-10", gfortran-10) + ("glicid-openmpi-gcc-10", glicid-openmpi-gcc-10) + ,@(package-inputs gromacs))) +)) + + +;;; glicid.scm ends here